9,9-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-14-oxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;12,12-dimethyl-14-[4-(10-phenylanthracen-9-yl)phenyl]-22-oxahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;14,14-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene;14,14-dimethyl-12-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1,4,6,8,10,12,15,17,19,21,23-undecaene;16,16-dimethyl-14-[4-(10-phenylanthracen-9-yl)phenyl]-12-oxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene;24,24-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene

C306H204O6 — CID 161482004

IUPAC9,9-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-14-oxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;12,12-dimethyl-14-[4-(10-phenylanthracen-9-yl)phenyl]-22-oxahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;14,14-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene;14,14-dimethyl-12-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1,4,6,8,10,12,15,17,19,21,23-undecaene;16,16-dimethyl-14-[4-(10-phenylanthracen-9-yl)phenyl]-12-oxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene;24,24-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene
SMILESCC1(C)c2cc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)c3c(oc4ccccc43)c2-c2ccc3ccccc3c21.CC1(C)c2cc3ccccc3cc2-c2c1c(-c1ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc1)cc1c2oc2ccccc21.CC1(C)c2cc3ccccc3cc2-c2cc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)c3c(oc4ccccc43)c21.CC1(C)c2ccc3ccccc3c2-c2cc3oc4ccccc4c3c(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)c21.CC1(C)c2ccccc2-c2c1c(-c1ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc1)cc1oc3c4ccccc4ccc3c21.CC1(C)c2ccccc2-c2cc3c(oc4ccc5ccccc5c43)c(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)c21
InChIInChI=1S/6C51H34O/c1-51(2)43-23-13-12-18-36(43)41-30-42-48-35-17-7-6-14-31(35)28-29-44(48)52-50(42)47(49(41)51)34-26-24-33(25-27-34)46-39-21-10-8-19-37(39)45(32-15-4-3-5-16-32)38-20-9-11-22-40(38)46;1-51(2)43-30-42(47-40-22-12-13-23-44(40)52-50(47)48(43)41-29-28-31-14-6-7-17-35(31)49(41)51)32-24-26-34(27-25-32)46-38-20-10-8-18-36(38)45(33-15-4-3-5-16-33)37-19-9-11-21-39(37)46;1-51(2)43-23-13-12-22-40(43)48-47-41-29-28-31-14-6-7-17-35(31)50(41)52-44(47)30-42(49(48)51)32-24-26-34(27-25-32)46-38-20-10-8-18-36(38)45(33-15-4-3-5-16-33)37-19-9-11-21-39(37)46;1-51(2)42-29-28-31-14-6-7-17-35(31)48(42)41-30-44-49(40-22-12-13-23-43(40)52-44)47(50(41)51)34-26-24-33(25-27-34)46-38-20-10-8-18-36(38)45(32-15-4-3-5-16-32)37-19-9-11-21-39(37)46;1-51(2)44-29-35-17-7-6-16-34(35)28-43(44)48-49(51)41(30-42-36-18-12-13-23-45(36)52-50(42)48)31-24-26-33(27-25-31)47-39-21-10-8-19-37(39)46(32-14-4-3-5-15-32)38-20-9-11-22-40(38)47;1-51(2)44-29-35-17-7-6-16-34(35)28-42(44)43-30-41(48-40-22-12-13-23-45(40)52-50(48)49(43)51)31-24-26-33(27-25-31)47-38-20-10-8-18-36(38)46(32-14-4-3-5-15-32)37-19-9-11-21-39(37)47/h6*3-30H,1-2H3
InChIKeyWEMHQJFXMCUIAZ-UHFFFAOYSA-N
MW3976.99 g/mol
LogP86.12
Rot. Bonds18

About 9,9-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-14-oxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;12,12-dimethyl-14-[4-(10-phenylanthracen-9-yl)phenyl]-22-oxahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;14,14-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene;14,14-dimethyl-12-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1,4,6,8,10,12,15,17,19,21,23-undecaene;16,16-dimethyl-14-[4-(10-phenylanthracen-9-yl)phenyl]-12-oxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene;24,24-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene

9,9-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-14-oxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;12,12-dimethyl-14-[4-(10-phenylanthracen-9-yl)phenyl]-22-oxahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;14,14-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene;14,14-dimethyl-12-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1,4,6,8,10,12,15,17,19,21,23-undecaene;16,16-dimethyl-14-[4-(10-phenylanthracen-9-yl)phenyl]-12-oxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene;24,24-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene (PubChem CID 161482004) has the molecular formula C306H204O6 and a molecular weight of 3976.99 g/mol. Its IUPAC name is 9,9-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-14-oxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;12,12-dimethyl-14-[4-(10-phenylanthracen-9-yl)phenyl]-22-oxahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;14,14-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene;14,14-dimethyl-12-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1,4,6,8,10,12,15,17,19,21,23-undecaene;16,16-dimethyl-14-[4-(10-phenylanthracen-9-yl)phenyl]-12-oxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene;24,24-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene.

Molecular Properties

Compound Name9,9-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-14-oxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;12,12-dimethyl-14-[4-(10-phenylanthracen-9-yl)phenyl]-22-oxahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;14,14-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene;14,14-dimethyl-12-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1,4,6,8,10,12,15,17,19,21,23-undecaene;16,16-dimethyl-14-[4-(10-phenylanthracen-9-yl)phenyl]-12-oxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene;24,24-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene
PubChem CID161482004
Molecular FormulaC306H204O6
Molecular Weight3976.99 g/mol
Exact Mass3973.57
IUPAC Name9,9-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-14-oxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;12,12-dimethyl-14-[4-(10-phenylanthracen-9-yl)phenyl]-22-oxahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;14,14-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene;14,14-dimethyl-12-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1,4,6,8,10,12,15,17,19,21,23-undecaene;16,16-dimethyl-14-[4-(10-phenylanthracen-9-yl)phenyl]-12-oxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene;24,24-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene
SMILESCC1(C)c2cc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)c3c(oc4ccccc43)c2-c2ccc3ccccc3c21.CC1(C)c2cc3ccccc3cc2-c2c1c(-c1ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc1)cc1c2oc2ccccc21.CC1(C)c2cc3ccccc3cc2-c2cc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)c3c(oc4ccccc43)c21.CC1(C)c2ccc3ccccc3c2-c2cc3oc4ccccc4c3c(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)c21.CC1(C)c2ccccc2-c2c1c(-c1ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc1)cc1oc3c4ccccc4ccc3c21.CC1(C)c2ccccc2-c2cc3c(oc4ccc5ccccc5c43)c(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)c21
InChIInChI=1S/6C51H34O/c1-51(2)43-23-13-12-18-36(43)41-30-42-48-35-17-7-6-14-31(35)28-29-44(48)52-50(42)47(49(41)51)34-26-24-33(25-27-34)46-39-21-10-8-19-37(39)45(32-15-4-3-5-16-32)38-20-9-11-22-40(38)46;1-51(2)43-30-42(47-40-22-12-13-23-44(40)52-50(47)48(43)41-29-28-31-14-6-7-17-35(31)49(41)51)32-24-26-34(27-25-32)46-38-20-10-8-18-36(38)45(33-15-4-3-5-16-33)37-19-9-11-21-39(37)46;1-51(2)43-23-13-12-22-40(43)48-47-41-29-28-31-14-6-7-17-35(31)50(41)52-44(47)30-42(49(48)51)32-24-26-34(27-25-32)46-38-20-10-8-18-36(38)45(33-15-4-3-5-16-33)37-19-9-11-21-39(37)46;1-51(2)42-29-28-31-14-6-7-17-35(31)48(42)41-30-44-49(40-22-12-13-23-43(40)52-44)47(50(41)51)34-26-24-33(25-27-34)46-38-20-10-8-18-36(38)45(32-15-4-3-5-16-32)37-19-9-11-21-39(37)46;1-51(2)44-29-35-17-7-6-16-34(35)28-43(44)48-49(51)41(30-42-36-18-12-13-23-45(36)52-50(42)48)31-24-26-33(27-25-31)47-39-21-10-8-19-37(39)46(32-14-4-3-5-15-32)38-20-9-11-22-40(38)47;1-51(2)44-29-35-17-7-6-16-34(35)28-42(44)43-30-41(48-40-22-12-13-23-45(40)52-50(48)49(43)51)31-24-26-33(27-25-31)47-38-20-10-8-18-36(38)46(32-14-4-3-5-15-32)37-19-9-11-21-39(37)47/h6*3-30H,1-2H3
InChIKeyWEMHQJFXMCUIAZ-UHFFFAOYSA-N
XLogP86.12
TPSA78.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms312
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003976.99
LogP ≤ 586.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9,9-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-14-oxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;12,12-dimethyl-14-[4-(10-phenylanthracen-9-yl)phenyl]-22-oxahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;14,14-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene;14,14-dimethyl-12-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1,4,6,8,10,12,15,17,19,21,23-undecaene;16,16-dimethyl-14-[4-(10-phenylanthracen-9-yl)phenyl]-12-oxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene;24,24-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-14-oxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;12,12-dimethyl-14-[4-(10-phenylanthracen-9-yl)phenyl]-22-oxahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;14,14-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene;14,14-dimethyl-12-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1,4,6,8,10,12,15,17,19,21,23-undecaene;16,16-dimethyl-14-[4-(10-phenylanthracen-9-yl)phenyl]-12-oxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene;24,24-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene?
The IUPAC name of 9,9-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-14-oxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;12,12-dimethyl-14-[4-(10-phenylanthracen-9-yl)phenyl]-22-oxahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;14,14-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene;14,14-dimethyl-12-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1,4,6,8,10,12,15,17,19,21,23-undecaene;16,16-dimethyl-14-[4-(10-phenylanthracen-9-yl)phenyl]-12-oxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene;24,24-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene (CID 161482004) is 9,9-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-14-oxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;12,12-dimethyl-14-[4-(10-phenylanthracen-9-yl)phenyl]-22-oxahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;14,14-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene;14,14-dimethyl-12-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1,4,6,8,10,12,15,17,19,21,23-undecaene;16,16-dimethyl-14-[4-(10-phenylanthracen-9-yl)phenyl]-12-oxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene;24,24-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene.
What is the SMILES notation for 9,9-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-14-oxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;12,12-dimethyl-14-[4-(10-phenylanthracen-9-yl)phenyl]-22-oxahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;14,14-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene;14,14-dimethyl-12-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1,4,6,8,10,12,15,17,19,21,23-undecaene;16,16-dimethyl-14-[4-(10-phenylanthracen-9-yl)phenyl]-12-oxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene;24,24-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene?
The canonical SMILES for 9,9-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-14-oxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;12,12-dimethyl-14-[4-(10-phenylanthracen-9-yl)phenyl]-22-oxahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;14,14-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene;14,14-dimethyl-12-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1,4,6,8,10,12,15,17,19,21,23-undecaene;16,16-dimethyl-14-[4-(10-phenylanthracen-9-yl)phenyl]-12-oxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene;24,24-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene is CC1(C)c2cc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)c3c(oc4ccccc43)c2-c2ccc3ccccc3c21.CC1(C)c2cc3ccccc3cc2-c2c1c(-c1ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc1)cc1c2oc2ccccc21.CC1(C)c2cc3ccccc3cc2-c2cc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)c3c(oc4ccccc43)c21.CC1(C)c2ccc3ccccc3c2-c2cc3oc4ccccc4c3c(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)c21.CC1(C)c2ccccc2-c2c1c(-c1ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc1)cc1oc3c4ccccc4ccc3c21.CC1(C)c2ccccc2-c2cc3c(oc4ccc5ccccc5c43)c(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)c21.
What is the InChIKey of 9,9-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-14-oxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;12,12-dimethyl-14-[4-(10-phenylanthracen-9-yl)phenyl]-22-oxahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;14,14-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene;14,14-dimethyl-12-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1,4,6,8,10,12,15,17,19,21,23-undecaene;16,16-dimethyl-14-[4-(10-phenylanthracen-9-yl)phenyl]-12-oxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene;24,24-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene?
The InChIKey is WEMHQJFXMCUIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/6C51H34O/c1-51(2)43-23-13-12-18-36(43)41-30-42-48-35-17-7-6-14-31(35)28-29-44(48)52-50(42)47(49(41)51)34-26-24-33(25-27-34)46-39-21-10-8-19-37(39)45(32-15-4-3-5-16-32)38-20-9-11-22-40(38)46;1-51(2)43-30-42(47-40-22-12-13-23-44(40)52-50(47)48(43)41-29-28-31-14-6-7-17-35(31)49(41)51)32-24-26-34(27-25-32)46-38-20-10-8-18-36(38)45(33-15-4-3-5-16-33)37-19-9-11-21-39(37)46;1-51(2)43-23-13-12-22-40(43)48-47-41-29-28-31-14-6-7-17-35(31)50(41)52-44(47)30-42(49(48)51)32-24-26-34(27-25-32)46-38-20-10-8-18-36(38)45(33-15-4-3-5-16-33)37-19-9-11-21-39(37)46;1-51(2)42-29-28-31-14-6-7-17-35(31)48(42)41-30-44-49(40-22-12-13-23-43(40)52-44)47(50(41)51)34-26-24-33(25-27-34)46-38-20-10-8-18-36(38)45(32-15-4-3-5-16-32)37-19-9-11-21-39(37)46;1-51(2)44-29-35-17-7-6-16-34(35)28-43(44)48-49(51)41(30-42-36-18-12-13-23-45(36)52-50(42)48)31-24-26-33(27-25-31)47-39-21-10-8-19-37(39)46(32-14-4-3-5-15-32)38-20-9-11-22-40(38)47;1-51(2)44-29-35-17-7-6-16-34(35)28-42(44)43-30-41(48-40-22-12-13-23-45(40)52-50(48)49(43)51)31-24-26-33(27-25-31)47-38-20-10-8-18-36(38)46(32-14-4-3-5-15-32)37-19-9-11-21-39(37)47/h6*3-30H,1-2H3.
What are the key properties of 9,9-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-14-oxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;12,12-dimethyl-14-[4-(10-phenylanthracen-9-yl)phenyl]-22-oxahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;14,14-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene;14,14-dimethyl-12-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1,4,6,8,10,12,15,17,19,21,23-undecaene;16,16-dimethyl-14-[4-(10-phenylanthracen-9-yl)phenyl]-12-oxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene;24,24-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene?
9,9-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-14-oxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;12,12-dimethyl-14-[4-(10-phenylanthracen-9-yl)phenyl]-22-oxahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;14,14-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene;14,14-dimethyl-12-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1,4,6,8,10,12,15,17,19,21,23-undecaene;16,16-dimethyl-14-[4-(10-phenylanthracen-9-yl)phenyl]-12-oxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene;24,24-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene has a molecular weight of 3976.99 g/mol, XLogP of 86.12, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-14-oxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;12,12-dimethyl-14-[4-(10-phenylanthracen-9-yl)phenyl]-22-oxahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;14,14-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene;14,14-dimethyl-12-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1,4,6,8,10,12,15,17,19,21,23-undecaene;16,16-dimethyl-14-[4-(10-phenylanthracen-9-yl)phenyl]-12-oxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene;24,24-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene is sourced from PubChem (CID 161482004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).