9,14-bis(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11,12-bis(4-phenylphenyl)indolo[2,3-a]carbazole;5,11-bis(4-phenylphenyl)indolo[3,2-b]carbazole

C126H84N6 — CID 160608465

IUPAC9,14-bis(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11,12-bis(4-phenylphenyl)indolo[2,3-a]carbazole;5,11-bis(4-phenylphenyl)indolo[3,2-b]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccc(-c7ccccc7)cc6)c5ccc43)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccc(-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccc(-c7ccccc7)cc6)c5c43)cc2)cc1
InChIInChI=1S/3C42H28N2/c1-3-11-29(12-4-1)31-19-23-33(24-20-31)43-39-17-9-7-15-35(39)37-28-42-38(27-41(37)43)36-16-8-10-18-40(36)44(42)34-25-21-32(22-26-34)30-13-5-2-6-14-30;1-3-11-29(12-4-1)31-19-23-33(24-20-31)43-39-17-9-7-15-35(39)37-27-28-38-36-16-8-10-18-40(36)44(42(38)41(37)43)34-25-21-32(22-26-34)30-13-5-2-6-14-30;1-3-11-29(12-4-1)31-19-23-33(24-20-31)43-37-17-9-7-15-35(37)41-39(43)27-28-40-42(41)36-16-8-10-18-38(36)44(40)34-25-21-32(22-26-34)30-13-5-2-6-14-30/h3*1-28H
InChIKeyRFEPGKSZLNVXPJ-UHFFFAOYSA-N
MW1682.10 g/mol
LogP33.64
Rot. Bonds12

About 9,14-bis(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11,12-bis(4-phenylphenyl)indolo[2,3-a]carbazole;5,11-bis(4-phenylphenyl)indolo[3,2-b]carbazole

9,14-bis(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11,12-bis(4-phenylphenyl)indolo[2,3-a]carbazole;5,11-bis(4-phenylphenyl)indolo[3,2-b]carbazole (PubChem CID 160608465) has the molecular formula C126H84N6 and a molecular weight of 1682.10 g/mol. Its IUPAC name is 9,14-bis(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11,12-bis(4-phenylphenyl)indolo[2,3-a]carbazole;5,11-bis(4-phenylphenyl)indolo[3,2-b]carbazole.

Molecular Properties

Compound Name9,14-bis(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11,12-bis(4-phenylphenyl)indolo[2,3-a]carbazole;5,11-bis(4-phenylphenyl)indolo[3,2-b]carbazole
PubChem CID160608465
Molecular FormulaC126H84N6
Molecular Weight1682.10 g/mol
Exact Mass1680.68
IUPAC Name9,14-bis(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11,12-bis(4-phenylphenyl)indolo[2,3-a]carbazole;5,11-bis(4-phenylphenyl)indolo[3,2-b]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccc(-c7ccccc7)cc6)c5ccc43)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccc(-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccc(-c7ccccc7)cc6)c5c43)cc2)cc1
InChIInChI=1S/3C42H28N2/c1-3-11-29(12-4-1)31-19-23-33(24-20-31)43-39-17-9-7-15-35(39)37-28-42-38(27-41(37)43)36-16-8-10-18-40(36)44(42)34-25-21-32(22-26-34)30-13-5-2-6-14-30;1-3-11-29(12-4-1)31-19-23-33(24-20-31)43-39-17-9-7-15-35(39)37-27-28-38-36-16-8-10-18-40(36)44(42(38)41(37)43)34-25-21-32(22-26-34)30-13-5-2-6-14-30;1-3-11-29(12-4-1)31-19-23-33(24-20-31)43-37-17-9-7-15-35(37)41-39(43)27-28-40-42(41)36-16-8-10-18-38(36)44(40)34-25-21-32(22-26-34)30-13-5-2-6-14-30/h3*1-28H
InChIKeyRFEPGKSZLNVXPJ-UHFFFAOYSA-N
XLogP33.64
TPSA29.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms132
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001682.10
LogP ≤ 533.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9,14-bis(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11,12-bis(4-phenylphenyl)indolo[2,3-a]carbazole;5,11-bis(4-phenylphenyl)indolo[3,2-b]carbazole with MolForge

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Related Compounds

5-(9-phenylcarbazol-2-yl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 134168829
12-(4-carbazol-9-ylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 134252991
5-phenyl-11-[4-[6-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]naphthalen-2-yl]phenyl]indolo[3,2-b]carbazole
CID 88917509
9,14-bis(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;ethane
CID 177063537
5-[4-[4-[12-(3-carbazol-9-ylphenyl)indolo[2,3-a]carbazol-11-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 88917457
12-[4-(3-carbazol-9-ylphenyl)phenyl]-5-phenylindolo[3,2-c]carbazole;12-[4-(9-phenylcarbazol-2-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole;12-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 159456602
5-phenyl-12-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole
CID 134168773
12-(3-phenylphenyl)-5-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598833
12-[3-(4-carbazol-9-ylphenyl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 134168746
5-(3-phenylphenyl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 126656172
12-(3,5-diphenylphenyl)-5-phenylindolo[3,2-c]carbazole;12-(3,5-diphenylphenyl)-5-(4-phenylphenyl)indolo[3,2-c]carbazole;12-[4-(3,5-diphenylphenyl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 167636301
11-phenyl-12-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 118501913

Frequently Asked Questions

What is the IUPAC name of 9,14-bis(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11,12-bis(4-phenylphenyl)indolo[2,3-a]carbazole;5,11-bis(4-phenylphenyl)indolo[3,2-b]carbazole?
The IUPAC name of 9,14-bis(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11,12-bis(4-phenylphenyl)indolo[2,3-a]carbazole;5,11-bis(4-phenylphenyl)indolo[3,2-b]carbazole (CID 160608465) is 9,14-bis(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11,12-bis(4-phenylphenyl)indolo[2,3-a]carbazole;5,11-bis(4-phenylphenyl)indolo[3,2-b]carbazole.
What is the SMILES notation for 9,14-bis(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11,12-bis(4-phenylphenyl)indolo[2,3-a]carbazole;5,11-bis(4-phenylphenyl)indolo[3,2-b]carbazole?
The canonical SMILES for 9,14-bis(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11,12-bis(4-phenylphenyl)indolo[2,3-a]carbazole;5,11-bis(4-phenylphenyl)indolo[3,2-b]carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccc(-c7ccccc7)cc6)c5ccc43)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccc(-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccc(-c7ccccc7)cc6)c5c43)cc2)cc1.
What is the InChIKey of 9,14-bis(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11,12-bis(4-phenylphenyl)indolo[2,3-a]carbazole;5,11-bis(4-phenylphenyl)indolo[3,2-b]carbazole?
The InChIKey is RFEPGKSZLNVXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C42H28N2/c1-3-11-29(12-4-1)31-19-23-33(24-20-31)43-39-17-9-7-15-35(39)37-28-42-38(27-41(37)43)36-16-8-10-18-40(36)44(42)34-25-21-32(22-26-34)30-13-5-2-6-14-30;1-3-11-29(12-4-1)31-19-23-33(24-20-31)43-39-17-9-7-15-35(39)37-27-28-38-36-16-8-10-18-40(36)44(42(38)41(37)43)34-25-21-32(22-26-34)30-13-5-2-6-14-30;1-3-11-29(12-4-1)31-19-23-33(24-20-31)43-37-17-9-7-15-35(37)41-39(43)27-28-40-42(41)36-16-8-10-18-38(36)44(40)34-25-21-32(22-26-34)30-13-5-2-6-14-30/h3*1-28H.
What are the key properties of 9,14-bis(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11,12-bis(4-phenylphenyl)indolo[2,3-a]carbazole;5,11-bis(4-phenylphenyl)indolo[3,2-b]carbazole?
9,14-bis(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11,12-bis(4-phenylphenyl)indolo[2,3-a]carbazole;5,11-bis(4-phenylphenyl)indolo[3,2-b]carbazole has a molecular weight of 1682.10 g/mol, XLogP of 33.64, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9,14-bis(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11,12-bis(4-phenylphenyl)indolo[2,3-a]carbazole;5,11-bis(4-phenylphenyl)indolo[3,2-b]carbazole is sourced from PubChem (CID 160608465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).