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

C52H30N4 — CID 168896969

IUPAC3-[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
SMILESN#Cc1ccc2c(c1)C1c3ccccc3C2c2ccc(C#N)c(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccc(-c7ccccc7)cc6)c5cc43)c21
InChIInChI=1S/C52H30N4/c53-29-31-18-24-40-44(26-31)50-39-15-5-4-14-38(39)49(40)41-25-21-34(30-54)52(51(41)50)56-46-17-9-7-13-37(46)43-27-42-36-12-6-8-16-45(36)55(47(42)28-48(43)56)35-22-19-33(20-23-35)32-10-2-1-3-11-32/h1-28,49-50H
InChIKeyNMRVYXAPQRWTKK-UHFFFAOYSA-N
MW710.84 g/mol
LogP12.28
Rot. Bonds3

About 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

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 (PubChem CID 168896969) has the molecular formula C52H30N4 and a molecular weight of 710.84 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID168896969
Molecular FormulaC52H30N4
Molecular Weight710.84 g/mol
Exact Mass710.25
IUPAC Name3-[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
SMILESN#Cc1ccc2c(c1)C1c3ccccc3C2c2ccc(C#N)c(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccc(-c7ccccc7)cc6)c5cc43)c21
InChIInChI=1S/C52H30N4/c53-29-31-18-24-40-44(26-31)50-39-15-5-4-14-38(39)49(40)41-25-21-34(30-54)52(51(41)50)56-46-17-9-7-13-37(46)43-27-42-36-12-6-8-16-45(36)55(47(42)28-48(43)56)35-22-19-33(20-23-35)32-10-2-1-3-11-32/h1-28,49-50H
InChIKeyNMRVYXAPQRWTKK-UHFFFAOYSA-N
XLogP12.28
TPSA57.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.84
LogP ≤ 512.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

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
4-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 129065173
9-[6-cyano-2-[2-(9H-fluoren-9-yl)phenyl]-3-phenylphenyl]carbazole-3-carbonitrile
CID 167401465
9-[2-[3-(4-carbazol-9-ylphenyl)-5-cyanophenyl]-6-cyanophenyl]carbazole-3-carbonitrile
CID 155080619
6-(4-carbazol-9-ylphenyl)-9-phenylcarbazole-2-carbonitrile
CID 126690271
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-carbazol-9-yl-3-[2-(4-carbazol-9-ylphenyl)-4-cyanophenyl]benzonitrile
CID 155079503
9-[4-[4-(2-carbazol-9-yl-6-cyanophenyl)phenyl]phenyl]carbazole-2-carbonitrile
CID 155081355
4-[4-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 126747004
9-[3-[4-(2-carbazol-9-yl-3-cyanophenyl)phenyl]-4-cyanophenyl]carbazole-3-carbonitrile
CID 155081747
2-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 155357564
9-[4-[2-[11-[4-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidin-4-yl]phenyl]carbazole
CID 165151410

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is N#Cc1ccc2c(c1)C1c3ccccc3C2c2ccc(C#N)c(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccc(-c7ccccc7)cc6)c5cc43)c21.
What is the InChIKey of 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?
The InChIKey is NMRVYXAPQRWTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30N4/c53-29-31-18-24-40-44(26-31)50-39-15-5-4-14-38(39)49(40)41-25-21-34(30-54)52(51(41)50)56-46-17-9-7-13-37(46)43-27-42-36-12-6-8-16-45(36)55(47(42)28-48(43)56)35-22-19-33(20-23-35)32-10-2-1-3-11-32/h1-28,49-50H.
What are the key properties of 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?
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 has a molecular weight of 710.84 g/mol, XLogP of 12.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 168896969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).