3,3-dimethyl-7-[4-(10-phenylanthracen-9-yl)phenyl]-16-oxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene;3,3-dimethyl-7-[4-(10-phenylanthracen-9-yl)phenyl]-22-oxahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;15,15-dimethyl-19-[4-(10-phenylanthracen-9-yl)phenyl]-9-oxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene;23,23-dimethyl-19-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaene;23,23-dimethyl-19-[4-(10-phenylanthracen-9-yl)phenyl]-9-oxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene

C255H170O5 — CID 158382726

IUPAC3,3-dimethyl-7-[4-(10-phenylanthracen-9-yl)phenyl]-16-oxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene;3,3-dimethyl-7-[4-(10-phenylanthracen-9-yl)phenyl]-22-oxahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;15,15-dimethyl-19-[4-(10-phenylanthracen-9-yl)phenyl]-9-oxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene;23,23-dimethyl-19-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaene;23,23-dimethyl-19-[4-(10-phenylanthracen-9-yl)phenyl]-9-oxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene
SMILESCC1(C)c2ccc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)cc2-c2ccc3c(ccc4oc5ccccc5c43)c21.CC1(C)c2ccc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)cc2-c2ccc3cc4c(cc3c21)oc1ccccc14.CC1(C)c2ccc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)cc2-c2ccc3cc4oc5ccccc5c4cc3c21.CC1(C)c2ccc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)cc2-c2ccc3ccc4c5ccccc5oc4c3c21.CC1(C)c2ccc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)cc2-c2ccc3ccc4oc5ccccc5c4c3c21
InChIInChI=1S/5C51H34O/c1-51(2)44-29-26-35(30-43(44)41-27-24-34-25-28-42-36-14-10-11-19-45(36)52-50(42)48(34)49(41)51)31-20-22-33(23-21-31)47-39-17-8-6-15-37(39)46(32-12-4-3-5-13-32)38-16-7-9-18-40(38)47;1-51(2)45-27-25-34(28-43(45)41-26-24-35-29-47-44(30-42(35)50(41)51)36-14-10-11-19-46(36)52-47)31-20-22-33(23-21-31)49-39-17-8-6-15-37(39)48(32-12-4-3-5-13-32)38-16-7-9-18-40(38)49;1-51(2)45-27-25-34(28-43(45)41-26-24-35-29-44-36-14-10-11-19-46(36)52-47(44)30-42(35)50(41)51)31-20-22-33(23-21-31)49-39-17-8-6-15-37(39)48(32-12-4-3-5-13-32)38-16-7-9-18-40(38)49;1-51(2)43-28-25-35(30-42(43)40-27-24-34-26-29-45-49(48(34)50(40)51)41-18-10-11-19-44(41)52-45)31-20-22-33(23-21-31)47-38-16-8-6-14-36(38)46(32-12-4-3-5-13-32)37-15-7-9-17-39(37)47;1-51(2)44-28-24-34(30-43(44)41-26-25-39-40(50(41)51)27-29-46-49(39)42-18-10-11-19-45(42)52-46)31-20-22-33(23-21-31)48-37-16-8-6-14-35(37)47(32-12-4-3-5-13-32)36-15-7-9-17-38(36)48/h5*3-30H,1-2H3
InChIKeyGVZMIOCGAREDND-UHFFFAOYSA-N
MW3314.16 g/mol
LogP71.76
Rot. Bonds15

About 3,3-dimethyl-7-[4-(10-phenylanthracen-9-yl)phenyl]-16-oxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene;3,3-dimethyl-7-[4-(10-phenylanthracen-9-yl)phenyl]-22-oxahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;15,15-dimethyl-19-[4-(10-phenylanthracen-9-yl)phenyl]-9-oxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene;23,23-dimethyl-19-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaene;23,23-dimethyl-19-[4-(10-phenylanthracen-9-yl)phenyl]-9-oxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene

3,3-dimethyl-7-[4-(10-phenylanthracen-9-yl)phenyl]-16-oxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene;3,3-dimethyl-7-[4-(10-phenylanthracen-9-yl)phenyl]-22-oxahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;15,15-dimethyl-19-[4-(10-phenylanthracen-9-yl)phenyl]-9-oxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene;23,23-dimethyl-19-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaene;23,23-dimethyl-19-[4-(10-phenylanthracen-9-yl)phenyl]-9-oxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene (PubChem CID 158382726) has the molecular formula C255H170O5 and a molecular weight of 3314.16 g/mol. Its IUPAC name is 3,3-dimethyl-7-[4-(10-phenylanthracen-9-yl)phenyl]-16-oxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene;3,3-dimethyl-7-[4-(10-phenylanthracen-9-yl)phenyl]-22-oxahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;15,15-dimethyl-19-[4-(10-phenylanthracen-9-yl)phenyl]-9-oxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene;23,23-dimethyl-19-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaene;23,23-dimethyl-19-[4-(10-phenylanthracen-9-yl)phenyl]-9-oxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene.

Molecular Properties

Compound Name3,3-dimethyl-7-[4-(10-phenylanthracen-9-yl)phenyl]-16-oxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene;3,3-dimethyl-7-[4-(10-phenylanthracen-9-yl)phenyl]-22-oxahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;15,15-dimethyl-19-[4-(10-phenylanthracen-9-yl)phenyl]-9-oxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene;23,23-dimethyl-19-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaene;23,23-dimethyl-19-[4-(10-phenylanthracen-9-yl)phenyl]-9-oxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene
PubChem CID158382726
Molecular FormulaC255H170O5
Molecular Weight3314.16 g/mol
Exact Mass3311.30
IUPAC Name3,3-dimethyl-7-[4-(10-phenylanthracen-9-yl)phenyl]-16-oxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene;3,3-dimethyl-7-[4-(10-phenylanthracen-9-yl)phenyl]-22-oxahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;15,15-dimethyl-19-[4-(10-phenylanthracen-9-yl)phenyl]-9-oxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene;23,23-dimethyl-19-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaene;23,23-dimethyl-19-[4-(10-phenylanthracen-9-yl)phenyl]-9-oxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene
SMILESCC1(C)c2ccc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)cc2-c2ccc3c(ccc4oc5ccccc5c43)c21.CC1(C)c2ccc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)cc2-c2ccc3cc4c(cc3c21)oc1ccccc14.CC1(C)c2ccc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)cc2-c2ccc3cc4oc5ccccc5c4cc3c21.CC1(C)c2ccc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)cc2-c2ccc3ccc4c5ccccc5oc4c3c21.CC1(C)c2ccc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)cc2-c2ccc3ccc4oc5ccccc5c4c3c21
InChIInChI=1S/5C51H34O/c1-51(2)44-29-26-35(30-43(44)41-27-24-34-25-28-42-36-14-10-11-19-45(36)52-50(42)48(34)49(41)51)31-20-22-33(23-21-31)47-39-17-8-6-15-37(39)46(32-12-4-3-5-13-32)38-16-7-9-18-40(38)47;1-51(2)45-27-25-34(28-43(45)41-26-24-35-29-47-44(30-42(35)50(41)51)36-14-10-11-19-46(36)52-47)31-20-22-33(23-21-31)49-39-17-8-6-15-37(39)48(32-12-4-3-5-13-32)38-16-7-9-18-40(38)49;1-51(2)45-27-25-34(28-43(45)41-26-24-35-29-44-36-14-10-11-19-46(36)52-47(44)30-42(35)50(41)51)31-20-22-33(23-21-31)49-39-17-8-6-15-37(39)48(32-12-4-3-5-13-32)38-16-7-9-18-40(38)49;1-51(2)43-28-25-35(30-42(43)40-27-24-34-26-29-45-49(48(34)50(40)51)41-18-10-11-19-44(41)52-45)31-20-22-33(23-21-31)47-38-16-8-6-14-36(38)46(32-12-4-3-5-13-32)37-15-7-9-17-39(37)47;1-51(2)44-28-24-34(30-43(44)41-26-25-39-40(50(41)51)27-29-46-49(39)42-18-10-11-19-45(42)52-46)31-20-22-33(23-21-31)48-37-16-8-6-14-35(37)47(32-12-4-3-5-13-32)36-15-7-9-17-38(36)48/h5*3-30H,1-2H3
InChIKeyGVZMIOCGAREDND-UHFFFAOYSA-N
XLogP71.76
TPSA65.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms260
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003314.16
LogP ≤ 571.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 3,3-dimethyl-7-[4-(10-phenylanthracen-9-yl)phenyl]-16-oxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene;3,3-dimethyl-7-[4-(10-phenylanthracen-9-yl)phenyl]-22-oxahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;15,15-dimethyl-19-[4-(10-phenylanthracen-9-yl)phenyl]-9-oxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene;23,23-dimethyl-19-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaene;23,23-dimethyl-19-[4-(10-phenylanthracen-9-yl)phenyl]-9-oxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-7-[4-(10-phenylanthracen-9-yl)phenyl]-16-oxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene;3,3-dimethyl-7-[4-(10-phenylanthracen-9-yl)phenyl]-22-oxahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;15,15-dimethyl-19-[4-(10-phenylanthracen-9-yl)phenyl]-9-oxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene;23,23-dimethyl-19-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaene;23,23-dimethyl-19-[4-(10-phenylanthracen-9-yl)phenyl]-9-oxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene?
The IUPAC name of 3,3-dimethyl-7-[4-(10-phenylanthracen-9-yl)phenyl]-16-oxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene;3,3-dimethyl-7-[4-(10-phenylanthracen-9-yl)phenyl]-22-oxahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;15,15-dimethyl-19-[4-(10-phenylanthracen-9-yl)phenyl]-9-oxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene;23,23-dimethyl-19-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaene;23,23-dimethyl-19-[4-(10-phenylanthracen-9-yl)phenyl]-9-oxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene (CID 158382726) is 3,3-dimethyl-7-[4-(10-phenylanthracen-9-yl)phenyl]-16-oxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene;3,3-dimethyl-7-[4-(10-phenylanthracen-9-yl)phenyl]-22-oxahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;15,15-dimethyl-19-[4-(10-phenylanthracen-9-yl)phenyl]-9-oxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene;23,23-dimethyl-19-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaene;23,23-dimethyl-19-[4-(10-phenylanthracen-9-yl)phenyl]-9-oxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene.
What is the SMILES notation for 3,3-dimethyl-7-[4-(10-phenylanthracen-9-yl)phenyl]-16-oxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene;3,3-dimethyl-7-[4-(10-phenylanthracen-9-yl)phenyl]-22-oxahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;15,15-dimethyl-19-[4-(10-phenylanthracen-9-yl)phenyl]-9-oxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene;23,23-dimethyl-19-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaene;23,23-dimethyl-19-[4-(10-phenylanthracen-9-yl)phenyl]-9-oxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene?
The canonical SMILES for 3,3-dimethyl-7-[4-(10-phenylanthracen-9-yl)phenyl]-16-oxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene;3,3-dimethyl-7-[4-(10-phenylanthracen-9-yl)phenyl]-22-oxahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;15,15-dimethyl-19-[4-(10-phenylanthracen-9-yl)phenyl]-9-oxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene;23,23-dimethyl-19-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaene;23,23-dimethyl-19-[4-(10-phenylanthracen-9-yl)phenyl]-9-oxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene is CC1(C)c2ccc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)cc2-c2ccc3c(ccc4oc5ccccc5c43)c21.CC1(C)c2ccc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)cc2-c2ccc3cc4c(cc3c21)oc1ccccc14.CC1(C)c2ccc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)cc2-c2ccc3cc4oc5ccccc5c4cc3c21.CC1(C)c2ccc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)cc2-c2ccc3ccc4c5ccccc5oc4c3c21.CC1(C)c2ccc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)cc2-c2ccc3ccc4oc5ccccc5c4c3c21.
What is the InChIKey of 3,3-dimethyl-7-[4-(10-phenylanthracen-9-yl)phenyl]-16-oxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene;3,3-dimethyl-7-[4-(10-phenylanthracen-9-yl)phenyl]-22-oxahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;15,15-dimethyl-19-[4-(10-phenylanthracen-9-yl)phenyl]-9-oxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene;23,23-dimethyl-19-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaene;23,23-dimethyl-19-[4-(10-phenylanthracen-9-yl)phenyl]-9-oxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene?
The InChIKey is GVZMIOCGAREDND-UHFFFAOYSA-N. The full InChI is InChI=1S/5C51H34O/c1-51(2)44-29-26-35(30-43(44)41-27-24-34-25-28-42-36-14-10-11-19-45(36)52-50(42)48(34)49(41)51)31-20-22-33(23-21-31)47-39-17-8-6-15-37(39)46(32-12-4-3-5-13-32)38-16-7-9-18-40(38)47;1-51(2)45-27-25-34(28-43(45)41-26-24-35-29-47-44(30-42(35)50(41)51)36-14-10-11-19-46(36)52-47)31-20-22-33(23-21-31)49-39-17-8-6-15-37(39)48(32-12-4-3-5-13-32)38-16-7-9-18-40(38)49;1-51(2)45-27-25-34(28-43(45)41-26-24-35-29-44-36-14-10-11-19-46(36)52-47(44)30-42(35)50(41)51)31-20-22-33(23-21-31)49-39-17-8-6-15-37(39)48(32-12-4-3-5-13-32)38-16-7-9-18-40(38)49;1-51(2)43-28-25-35(30-42(43)40-27-24-34-26-29-45-49(48(34)50(40)51)41-18-10-11-19-44(41)52-45)31-20-22-33(23-21-31)47-38-16-8-6-14-36(38)46(32-12-4-3-5-13-32)37-15-7-9-17-39(37)47;1-51(2)44-28-24-34(30-43(44)41-26-25-39-40(50(41)51)27-29-46-49(39)42-18-10-11-19-45(42)52-46)31-20-22-33(23-21-31)48-37-16-8-6-14-35(37)47(32-12-4-3-5-13-32)36-15-7-9-17-38(36)48/h5*3-30H,1-2H3.
What are the key properties of 3,3-dimethyl-7-[4-(10-phenylanthracen-9-yl)phenyl]-16-oxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene;3,3-dimethyl-7-[4-(10-phenylanthracen-9-yl)phenyl]-22-oxahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;15,15-dimethyl-19-[4-(10-phenylanthracen-9-yl)phenyl]-9-oxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene;23,23-dimethyl-19-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaene;23,23-dimethyl-19-[4-(10-phenylanthracen-9-yl)phenyl]-9-oxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene?
3,3-dimethyl-7-[4-(10-phenylanthracen-9-yl)phenyl]-16-oxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene;3,3-dimethyl-7-[4-(10-phenylanthracen-9-yl)phenyl]-22-oxahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;15,15-dimethyl-19-[4-(10-phenylanthracen-9-yl)phenyl]-9-oxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene;23,23-dimethyl-19-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaene;23,23-dimethyl-19-[4-(10-phenylanthracen-9-yl)phenyl]-9-oxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene has a molecular weight of 3314.16 g/mol, XLogP of 71.76, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-7-[4-(10-phenylanthracen-9-yl)phenyl]-16-oxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene;3,3-dimethyl-7-[4-(10-phenylanthracen-9-yl)phenyl]-22-oxahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;15,15-dimethyl-19-[4-(10-phenylanthracen-9-yl)phenyl]-9-oxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene;23,23-dimethyl-19-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaene;23,23-dimethyl-19-[4-(10-phenylanthracen-9-yl)phenyl]-9-oxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene is sourced from PubChem (CID 158382726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).