5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene-4,11-dicarbonitrile

C52H31N3 — CID 168897122

IUPAC5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene-4,11-dicarbonitrile
SMILESN#Cc1ccc2c(c1)C1c3ccccc3C2c2cc(C#N)c(-c3ccc4c(c3)c3cc(-c5ccccc5)ccc3n4-c3ccc(-c4ccccc4)cc3)cc21
InChIInChI=1S/C52H31N3/c53-30-32-15-22-42-46(25-32)52-41-14-8-7-13-40(41)51(42)47-28-38(31-54)43(29-48(47)52)37-19-24-50-45(27-37)44-26-36(34-11-5-2-6-12-34)18-23-49(44)55(50)39-20-16-35(17-21-39)33-9-3-1-4-10-33/h1-29,51-52H
InChIKeyAGAXWQLSLZFZIB-UHFFFAOYSA-N
MW697.84 g/mol
LogP12.52
Rot. Bonds4

About 5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene-4,11-dicarbonitrile

5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene-4,11-dicarbonitrile (PubChem CID 168897122) has the molecular formula C52H31N3 and a molecular weight of 697.84 g/mol. Its IUPAC name is 5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene-4,11-dicarbonitrile.

Molecular Properties

Compound Name5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene-4,11-dicarbonitrile
PubChem CID168897122
Molecular FormulaC52H31N3
Molecular Weight697.84 g/mol
Exact Mass697.25
IUPAC Name5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene-4,11-dicarbonitrile
SMILESN#Cc1ccc2c(c1)C1c3ccccc3C2c2cc(C#N)c(-c3ccc4c(c3)c3cc(-c5ccccc5)ccc3n4-c3ccc(-c4ccccc4)cc3)cc21
InChIInChI=1S/C52H31N3/c53-30-32-15-22-42-46(25-32)52-41-14-8-7-13-40(41)51(42)47-28-38(31-54)43(29-48(47)52)37-19-24-50-45(27-37)44-26-36(34-11-5-2-6-12-34)18-23-49(44)55(50)39-20-16-35(17-21-39)33-9-3-1-4-10-33/h1-29,51-52H
InChIKeyAGAXWQLSLZFZIB-UHFFFAOYSA-N
XLogP12.52
TPSA52.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.84
LogP ≤ 512.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene-4,11-dicarbonitrile with MolForge

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Related Compounds

5-(3-triphenylen-2-ylphenyl)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene-4,11-dicarbonitrile
CID 168897033
4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]benzonitrile
CID 118632433
3-[7-(4-phenylphenyl)indolo[2,3-b]carbazol-5-yl]pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene-4,12-dicarbonitrile
CID 168896969
4-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 129065173
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile
CID 159170044
2,5-bis(9-phenylcarbazol-3-yl)benzonitrile;4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile;3-[9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 159883869
2-(3-cyanophenyl)-4,5-bis(3-phenylcarbazol-9-yl)benzonitrile
CID 155377559
6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-(4-phenylphenyl)carbazole-3-carbonitrile
CID 118152961
4-[4-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 126747004
4-[2-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile
CID 164744010
6-(4-carbazol-9-ylphenyl)-9-phenylcarbazole-2-carbonitrile
CID 126690271
4,5-bis[3,6-bis(3-cyanophenyl)carbazol-9-yl]-2-(3-cyanophenyl)benzonitrile
CID 155377784

Frequently Asked Questions

What is the IUPAC name of 5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene-4,11-dicarbonitrile?
The IUPAC name of 5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene-4,11-dicarbonitrile (CID 168897122) is 5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene-4,11-dicarbonitrile.
What is the SMILES notation for 5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene-4,11-dicarbonitrile?
The canonical SMILES for 5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene-4,11-dicarbonitrile is N#Cc1ccc2c(c1)C1c3ccccc3C2c2cc(C#N)c(-c3ccc4c(c3)c3cc(-c5ccccc5)ccc3n4-c3ccc(-c4ccccc4)cc3)cc21.
What is the InChIKey of 5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene-4,11-dicarbonitrile?
The InChIKey is AGAXWQLSLZFZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H31N3/c53-30-32-15-22-42-46(25-32)52-41-14-8-7-13-40(41)51(42)47-28-38(31-54)43(29-48(47)52)37-19-24-50-45(27-37)44-26-36(34-11-5-2-6-12-34)18-23-49(44)55(50)39-20-16-35(17-21-39)33-9-3-1-4-10-33/h1-29,51-52H.
What are the key properties of 5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene-4,11-dicarbonitrile?
5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene-4,11-dicarbonitrile has a molecular weight of 697.84 g/mol, XLogP of 12.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene-4,11-dicarbonitrile is sourced from PubChem (CID 168897122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).