7,17-bis(9,9-dimethyl-7-phenylfluoren-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;7,16-bis(6-naphthalen-2-ylnaphthalen-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-bis(7-naphthalen-2-ylnaphthalen-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-bis(3-phenanthren-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;2,4-diphenyl-6-[3-(17-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-7-yl)phenyl]pyrimidine

C280H172N2O10 — CID 158248612

IUPAC7,17-bis(9,9-dimethyl-7-phenylfluoren-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;7,16-bis(6-naphthalen-2-ylnaphthalen-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-bis(7-naphthalen-2-ylnaphthalen-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-bis(3-phenanthren-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;2,4-diphenyl-6-[3-(17-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-7-yl)phenyl]pyrimidine
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccc4c(c3)oc3cc5oc6cc(-c7ccc8c(c7)C(C)(C)c7cc(-c9ccccc9)ccc7-8)ccc6c5cc34)cc21.c1cc(-c2ccc3oc4c(ccc5c6cc(-c7cccc(-c8cc9ccccc9c9ccccc89)c7)ccc6oc54)c3c2)cc(-c2cc3ccccc3c3ccccc23)c1.c1ccc(-c2ccc3c(c2)oc2cc4oc5cc(-c6cccc(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)c6)ccc5c4cc23)cc1.c1ccc2cc(-c3ccc4cc(-c5ccc6oc7c(ccc8c9cc(-c%10ccc%11cc(-c%12ccc%13ccccc%13c%12)ccc%11c%10)ccc9oc87)c6c5)ccc4c3)ccc2c1.c1ccc2cc(-c3ccc4ccc(-c5ccc6oc7c(ccc8c9cc(-c%10ccc%11ccc(-c%12ccc%13ccccc%13c%12)cc%11c%10)ccc9oc87)c6c5)cc4c3)ccc2c1
InChIInChI=1S/C60H42O2.3C58H34O2.C46H28N2O2/c1-59(2)51-27-37(35-11-7-5-8-12-35)15-21-43(51)45-23-17-39(29-53(45)59)41-19-25-47-49-33-50-48-26-20-42(32-56(48)62-58(50)34-57(49)61-55(47)31-41)40-18-24-46-44-22-16-38(36-13-9-6-10-14-36)28-52(44)60(3,4)54(46)30-40;1-3-17-43-41(11-1)33-51(47-21-7-5-19-45(43)47)39-15-9-13-35(29-39)37-23-27-55-53(31-37)49-25-26-50-54-32-38(24-28-56(54)60-58(50)57(49)59-55)36-14-10-16-40(30-36)52-34-42-12-2-4-18-44(42)46-20-6-8-22-48(46)52;1-3-7-39-27-41(15-9-35(39)5-1)43-17-11-37-13-19-45(31-49(37)29-43)47-21-25-55-53(33-47)51-23-24-52-54-34-48(22-26-56(54)60-58(52)57(51)59-55)46-20-14-38-12-18-44(30-50(38)32-46)42-16-10-36-6-2-4-8-40(36)28-42;1-3-7-37-27-39(11-9-35(37)5-1)41-13-15-45-31-47(19-17-43(45)29-41)49-21-25-55-53(33-49)51-23-24-52-54-34-50(22-26-56(54)60-58(52)57(51)59-55)48-20-18-44-30-42(14-16-46(44)32-48)40-12-10-36-6-2-4-8-38(36)28-40;1-4-11-29(12-5-1)33-19-21-36-38-26-39-37-22-20-34(25-43(37)50-45(39)28-44(38)49-42(36)24-33)32-17-10-18-35(23-32)41-27-40(30-13-6-2-7-14-30)47-46(48-41)31-15-8-3-9-16-31/h5-34H,1-4H3;3*1-34H;1-28H
InChIKeyGGKYDCPSMNWNSS-UHFFFAOYSA-N
MW3724.46 g/mol
LogP79.68
Rot. Bonds21

About 7,17-bis(9,9-dimethyl-7-phenylfluoren-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;7,16-bis(6-naphthalen-2-ylnaphthalen-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-bis(7-naphthalen-2-ylnaphthalen-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-bis(3-phenanthren-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;2,4-diphenyl-6-[3-(17-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-7-yl)phenyl]pyrimidine

7,17-bis(9,9-dimethyl-7-phenylfluoren-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;7,16-bis(6-naphthalen-2-ylnaphthalen-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-bis(7-naphthalen-2-ylnaphthalen-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-bis(3-phenanthren-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;2,4-diphenyl-6-[3-(17-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-7-yl)phenyl]pyrimidine (PubChem CID 158248612) has the molecular formula C280H172N2O10 and a molecular weight of 3724.46 g/mol. Its IUPAC name is 7,17-bis(9,9-dimethyl-7-phenylfluoren-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;7,16-bis(6-naphthalen-2-ylnaphthalen-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-bis(7-naphthalen-2-ylnaphthalen-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-bis(3-phenanthren-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;2,4-diphenyl-6-[3-(17-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-7-yl)phenyl]pyrimidine.

Molecular Properties

Compound Name7,17-bis(9,9-dimethyl-7-phenylfluoren-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;7,16-bis(6-naphthalen-2-ylnaphthalen-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-bis(7-naphthalen-2-ylnaphthalen-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-bis(3-phenanthren-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;2,4-diphenyl-6-[3-(17-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-7-yl)phenyl]pyrimidine
PubChem CID158248612
Molecular FormulaC280H172N2O10
Molecular Weight3724.46 g/mol
Exact Mass3721.30
IUPAC Name7,17-bis(9,9-dimethyl-7-phenylfluoren-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;7,16-bis(6-naphthalen-2-ylnaphthalen-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-bis(7-naphthalen-2-ylnaphthalen-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-bis(3-phenanthren-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;2,4-diphenyl-6-[3-(17-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-7-yl)phenyl]pyrimidine
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccc4c(c3)oc3cc5oc6cc(-c7ccc8c(c7)C(C)(C)c7cc(-c9ccccc9)ccc7-8)ccc6c5cc34)cc21.c1cc(-c2ccc3oc4c(ccc5c6cc(-c7cccc(-c8cc9ccccc9c9ccccc89)c7)ccc6oc54)c3c2)cc(-c2cc3ccccc3c3ccccc23)c1.c1ccc(-c2ccc3c(c2)oc2cc4oc5cc(-c6cccc(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)c6)ccc5c4cc23)cc1.c1ccc2cc(-c3ccc4cc(-c5ccc6oc7c(ccc8c9cc(-c%10ccc%11cc(-c%12ccc%13ccccc%13c%12)ccc%11c%10)ccc9oc87)c6c5)ccc4c3)ccc2c1.c1ccc2cc(-c3ccc4ccc(-c5ccc6oc7c(ccc8c9cc(-c%10ccc%11ccc(-c%12ccc%13ccccc%13c%12)cc%11c%10)ccc9oc87)c6c5)cc4c3)ccc2c1
InChIInChI=1S/C60H42O2.3C58H34O2.C46H28N2O2/c1-59(2)51-27-37(35-11-7-5-8-12-35)15-21-43(51)45-23-17-39(29-53(45)59)41-19-25-47-49-33-50-48-26-20-42(32-56(48)62-58(50)34-57(49)61-55(47)31-41)40-18-24-46-44-22-16-38(36-13-9-6-10-14-36)28-52(44)60(3,4)54(46)30-40;1-3-17-43-41(11-1)33-51(47-21-7-5-19-45(43)47)39-15-9-13-35(29-39)37-23-27-55-53(31-37)49-25-26-50-54-32-38(24-28-56(54)60-58(50)57(49)59-55)36-14-10-16-40(30-36)52-34-42-12-2-4-18-44(42)46-20-6-8-22-48(46)52;1-3-7-39-27-41(15-9-35(39)5-1)43-17-11-37-13-19-45(31-49(37)29-43)47-21-25-55-53(33-47)51-23-24-52-54-34-48(22-26-56(54)60-58(52)57(51)59-55)46-20-14-38-12-18-44(30-50(38)32-46)42-16-10-36-6-2-4-8-40(36)28-42;1-3-7-37-27-39(11-9-35(37)5-1)41-13-15-45-31-47(19-17-43(45)29-41)49-21-25-55-53(33-49)51-23-24-52-54-34-50(22-26-56(54)60-58(52)57(51)59-55)48-20-18-44-30-42(14-16-46(44)32-48)40-12-10-36-6-2-4-8-38(36)28-40;1-4-11-29(12-5-1)33-19-21-36-38-26-39-37-22-20-34(25-43(37)50-45(39)28-44(38)49-42(36)24-33)32-17-10-18-35(23-32)41-27-40(30-13-6-2-7-14-30)47-46(48-41)31-15-8-3-9-16-31/h5-34H,1-4H3;3*1-34H;1-28H
InChIKeyGGKYDCPSMNWNSS-UHFFFAOYSA-N
XLogP79.68
TPSA157.18 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds21
Heavy Atoms292
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003724.46
LogP ≤ 579.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 7,17-bis(9,9-dimethyl-7-phenylfluoren-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;7,16-bis(6-naphthalen-2-ylnaphthalen-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-bis(7-naphthalen-2-ylnaphthalen-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-bis(3-phenanthren-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;2,4-diphenyl-6-[3-(17-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-7-yl)phenyl]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7,17-bis(9,9-dimethyl-7-phenylfluoren-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;7,16-bis(6-naphthalen-2-ylnaphthalen-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-bis(7-naphthalen-2-ylnaphthalen-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-bis(3-phenanthren-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;2,4-diphenyl-6-[3-(17-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-7-yl)phenyl]pyrimidine?
The IUPAC name of 7,17-bis(9,9-dimethyl-7-phenylfluoren-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;7,16-bis(6-naphthalen-2-ylnaphthalen-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-bis(7-naphthalen-2-ylnaphthalen-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-bis(3-phenanthren-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;2,4-diphenyl-6-[3-(17-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-7-yl)phenyl]pyrimidine (CID 158248612) is 7,17-bis(9,9-dimethyl-7-phenylfluoren-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;7,16-bis(6-naphthalen-2-ylnaphthalen-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-bis(7-naphthalen-2-ylnaphthalen-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-bis(3-phenanthren-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;2,4-diphenyl-6-[3-(17-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-7-yl)phenyl]pyrimidine.
What is the SMILES notation for 7,17-bis(9,9-dimethyl-7-phenylfluoren-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;7,16-bis(6-naphthalen-2-ylnaphthalen-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-bis(7-naphthalen-2-ylnaphthalen-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-bis(3-phenanthren-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;2,4-diphenyl-6-[3-(17-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-7-yl)phenyl]pyrimidine?
The canonical SMILES for 7,17-bis(9,9-dimethyl-7-phenylfluoren-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;7,16-bis(6-naphthalen-2-ylnaphthalen-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-bis(7-naphthalen-2-ylnaphthalen-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-bis(3-phenanthren-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;2,4-diphenyl-6-[3-(17-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-7-yl)phenyl]pyrimidine is CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccc4c(c3)oc3cc5oc6cc(-c7ccc8c(c7)C(C)(C)c7cc(-c9ccccc9)ccc7-8)ccc6c5cc34)cc21.c1cc(-c2ccc3oc4c(ccc5c6cc(-c7cccc(-c8cc9ccccc9c9ccccc89)c7)ccc6oc54)c3c2)cc(-c2cc3ccccc3c3ccccc23)c1.c1ccc(-c2ccc3c(c2)oc2cc4oc5cc(-c6cccc(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)c6)ccc5c4cc23)cc1.c1ccc2cc(-c3ccc4cc(-c5ccc6oc7c(ccc8c9cc(-c%10ccc%11cc(-c%12ccc%13ccccc%13c%12)ccc%11c%10)ccc9oc87)c6c5)ccc4c3)ccc2c1.c1ccc2cc(-c3ccc4ccc(-c5ccc6oc7c(ccc8c9cc(-c%10ccc%11ccc(-c%12ccc%13ccccc%13c%12)cc%11c%10)ccc9oc87)c6c5)cc4c3)ccc2c1.
What is the InChIKey of 7,17-bis(9,9-dimethyl-7-phenylfluoren-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;7,16-bis(6-naphthalen-2-ylnaphthalen-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-bis(7-naphthalen-2-ylnaphthalen-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-bis(3-phenanthren-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;2,4-diphenyl-6-[3-(17-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-7-yl)phenyl]pyrimidine?
The InChIKey is GGKYDCPSMNWNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42O2.3C58H34O2.C46H28N2O2/c1-59(2)51-27-37(35-11-7-5-8-12-35)15-21-43(51)45-23-17-39(29-53(45)59)41-19-25-47-49-33-50-48-26-20-42(32-56(48)62-58(50)34-57(49)61-55(47)31-41)40-18-24-46-44-22-16-38(36-13-9-6-10-14-36)28-52(44)60(3,4)54(46)30-40;1-3-17-43-41(11-1)33-51(47-21-7-5-19-45(43)47)39-15-9-13-35(29-39)37-23-27-55-53(31-37)49-25-26-50-54-32-38(24-28-56(54)60-58(50)57(49)59-55)36-14-10-16-40(30-36)52-34-42-12-2-4-18-44(42)46-20-6-8-22-48(46)52;1-3-7-39-27-41(15-9-35(39)5-1)43-17-11-37-13-19-45(31-49(37)29-43)47-21-25-55-53(33-47)51-23-24-52-54-34-48(22-26-56(54)60-58(52)57(51)59-55)46-20-14-38-12-18-44(30-50(38)32-46)42-16-10-36-6-2-4-8-40(36)28-42;1-3-7-37-27-39(11-9-35(37)5-1)41-13-15-45-31-47(19-17-43(45)29-41)49-21-25-55-53(33-49)51-23-24-52-54-34-50(22-26-56(54)60-58(52)57(51)59-55)48-20-18-44-30-42(14-16-46(44)32-48)40-12-10-36-6-2-4-8-38(36)28-40;1-4-11-29(12-5-1)33-19-21-36-38-26-39-37-22-20-34(25-43(37)50-45(39)28-44(38)49-42(36)24-33)32-17-10-18-35(23-32)41-27-40(30-13-6-2-7-14-30)47-46(48-41)31-15-8-3-9-16-31/h5-34H,1-4H3;3*1-34H;1-28H.
What are the key properties of 7,17-bis(9,9-dimethyl-7-phenylfluoren-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;7,16-bis(6-naphthalen-2-ylnaphthalen-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-bis(7-naphthalen-2-ylnaphthalen-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-bis(3-phenanthren-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;2,4-diphenyl-6-[3-(17-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-7-yl)phenyl]pyrimidine?
7,17-bis(9,9-dimethyl-7-phenylfluoren-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;7,16-bis(6-naphthalen-2-ylnaphthalen-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-bis(7-naphthalen-2-ylnaphthalen-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-bis(3-phenanthren-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;2,4-diphenyl-6-[3-(17-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-7-yl)phenyl]pyrimidine has a molecular weight of 3724.46 g/mol, XLogP of 79.68, 21 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 7,17-bis(9,9-dimethyl-7-phenylfluoren-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene;7,16-bis(6-naphthalen-2-ylnaphthalen-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-bis(7-naphthalen-2-ylnaphthalen-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;7,16-bis(3-phenanthren-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;2,4-diphenyl-6-[3-(17-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-7-yl)phenyl]pyrimidine is sourced from PubChem (CID 158248612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).