5-[6-(3-cyano-3,4-dihydrocarbazol-9-yl)-2-pyridinyl]-8H-cyclohepta[b]indole-2-carbonitrile

C32H21N5 — CID 163939328

IUPAC5-[6-(3-cyano-3,4-dihydrocarbazol-9-yl)-2-pyridinyl]-8H-cyclohepta[b]indole-2-carbonitrile
SMILESN#Cc1ccc2c(c1)c1c(n2-c2cccc(-n3c4c(c5ccccc53)CC(C#N)C=C4)n2)C=CCC=C1
InChIInChI=1S/C32H21N5/c33-19-21-13-15-29-25(17-21)23-7-2-1-3-9-27(23)36(29)31-11-6-12-32(35-31)37-28-10-5-4-8-24(28)26-18-22(20-34)14-16-30(26)37/h2-17,22H,1,18H2
InChIKeyRPPVHCGOLWLSSU-UHFFFAOYSA-N
MW475.56 g/mol
LogP6.98
Rot. Bonds2

About 5-[6-(3-cyano-3,4-dihydrocarbazol-9-yl)-2-pyridinyl]-8H-cyclohepta[b]indole-2-carbonitrile

5-[6-(3-cyano-3,4-dihydrocarbazol-9-yl)-2-pyridinyl]-8H-cyclohepta[b]indole-2-carbonitrile (PubChem CID 163939328) has the molecular formula C32H21N5 and a molecular weight of 475.56 g/mol. Its IUPAC name is 5-[6-(3-cyano-3,4-dihydrocarbazol-9-yl)-2-pyridinyl]-8H-cyclohepta[b]indole-2-carbonitrile.

Molecular Properties

Compound Name5-[6-(3-cyano-3,4-dihydrocarbazol-9-yl)-2-pyridinyl]-8H-cyclohepta[b]indole-2-carbonitrile
PubChem CID163939328
Molecular FormulaC32H21N5
Molecular Weight475.56 g/mol
Exact Mass475.18
IUPAC Name5-[6-(3-cyano-3,4-dihydrocarbazol-9-yl)-2-pyridinyl]-8H-cyclohepta[b]indole-2-carbonitrile
SMILESN#Cc1ccc2c(c1)c1c(n2-c2cccc(-n3c4c(c5ccccc53)CC(C#N)C=C4)n2)C=CCC=C1
InChIInChI=1S/C32H21N5/c33-19-21-13-15-29-25(17-21)23-7-2-1-3-9-27(23)36(29)31-11-6-12-32(35-31)37-28-10-5-4-8-24(28)26-18-22(20-34)14-16-30(26)37/h2-17,22H,1,18H2
InChIKeyRPPVHCGOLWLSSU-UHFFFAOYSA-N
XLogP6.98
TPSA70.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.56
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-(6-carbazol-9-yl-2-pyridinyl)carbazole-3,6-dicarbonitrile
CID 118650226
9-(6-carbazol-9-yl-2-pyridinyl)carbazole-3,6-dicarbonitrile;9-[6-(3-isocyanocarbazol-9-yl)-2-pyridinyl]carbazole-3-carbonitrile
CID 158309650
9-(3-cyanophenyl)-8-[2-[9-(2-cyanophenyl)carbazol-3-yl]cyclohexa-1,5-dien-1-yl]-3,4-dihydrocarbazole-3-carbonitrile
CID 146185736
5-(2-carbazol-9-ylphenyl)-4-[3-(3-cyano-3,4-dihydrocarbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile
CID 163895888
9-(3-carbazol-9-ylphenyl)carbazole;9-(6-carbazol-9-yl-2-pyridinyl)carbazole;9-[3,5-di(carbazol-9-yl)phenyl]carbazole;9-[6-(3-methylcarbazol-9-yl)-2-pyridinyl]carbazole-3-carbonitrile
CID 158181129
9-[6-carbazol-9-yl-4-[3-(3-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile
CID 121312485
9-[3-[2-[(3Z,5Z)-4-carbazol-9-yl-2-methylhepta-1,3,5-trien-3-yl]phenyl]-2-cyanophenyl]-3,4-dihydrocarbazole-3,6-dicarbonitrile
CID 167280512
9-[6-carbazol-9-yl-4-(2-cyanophenyl)-2-pyridinyl]carbazole-3,6-dicarbonitrile
CID 121312383
9-[6-carbazol-9-yl-4-(2,4-dicyanophenyl)-2-pyridinyl]carbazole-3,6-dicarbonitrile
CID 155179704
10,21-dinaphthalen-1-yl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,20]henicosa-1(13),2,4,6,8,11,14(20),15,18-nonaene
CID 154947539
9-[6-carbazol-9-yl-4-[2-(4-cyanophenyl)phenyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile
CID 121312324
7-[(4aS)-9-cyclohex-2-en-1-yl-1,2,3,4,4a,9a-hexahydrocarbazol-1-yl]-9-(3-cyanophenyl)-3,4-dihydrocarbazole-3-carbonitrile
CID 146182142

Frequently Asked Questions

What is the IUPAC name of 5-[6-(3-cyano-3,4-dihydrocarbazol-9-yl)-2-pyridinyl]-8H-cyclohepta[b]indole-2-carbonitrile?
The IUPAC name of 5-[6-(3-cyano-3,4-dihydrocarbazol-9-yl)-2-pyridinyl]-8H-cyclohepta[b]indole-2-carbonitrile (CID 163939328) is 5-[6-(3-cyano-3,4-dihydrocarbazol-9-yl)-2-pyridinyl]-8H-cyclohepta[b]indole-2-carbonitrile.
What is the SMILES notation for 5-[6-(3-cyano-3,4-dihydrocarbazol-9-yl)-2-pyridinyl]-8H-cyclohepta[b]indole-2-carbonitrile?
The canonical SMILES for 5-[6-(3-cyano-3,4-dihydrocarbazol-9-yl)-2-pyridinyl]-8H-cyclohepta[b]indole-2-carbonitrile is N#Cc1ccc2c(c1)c1c(n2-c2cccc(-n3c4c(c5ccccc53)CC(C#N)C=C4)n2)C=CCC=C1.
What is the InChIKey of 5-[6-(3-cyano-3,4-dihydrocarbazol-9-yl)-2-pyridinyl]-8H-cyclohepta[b]indole-2-carbonitrile?
The InChIKey is RPPVHCGOLWLSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21N5/c33-19-21-13-15-29-25(17-21)23-7-2-1-3-9-27(23)36(29)31-11-6-12-32(35-31)37-28-10-5-4-8-24(28)26-18-22(20-34)14-16-30(26)37/h2-17,22H,1,18H2.
What are the key properties of 5-[6-(3-cyano-3,4-dihydrocarbazol-9-yl)-2-pyridinyl]-8H-cyclohepta[b]indole-2-carbonitrile?
5-[6-(3-cyano-3,4-dihydrocarbazol-9-yl)-2-pyridinyl]-8H-cyclohepta[b]indole-2-carbonitrile has a molecular weight of 475.56 g/mol, XLogP of 6.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(3-cyano-3,4-dihydrocarbazol-9-yl)-2-pyridinyl]-8H-cyclohepta[b]indole-2-carbonitrile is sourced from PubChem (CID 163939328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).