9-(6-carbazol-9-yl-2-pyridinyl)carbazole-3,6-dicarbonitrile;9-[6-(3-isocyanocarbazol-9-yl)-2-pyridinyl]carbazole-3-carbonitrile

C62H34N10 — CID 158309650

IUPAC9-(6-carbazol-9-yl-2-pyridinyl)carbazole-3,6-dicarbonitrile;9-[6-(3-isocyanocarbazol-9-yl)-2-pyridinyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1cccc(-n2c3ccccc3c3ccccc32)n1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cccc(-n2c3ccccc3c3cc(C#N)ccc32)n1
InChIInChI=1S/2C31H17N5/c1-33-21-14-16-29-25(18-21)23-8-3-5-10-27(23)36(29)31-12-6-11-30(34-31)35-26-9-4-2-7-22(26)24-17-20(19-32)13-15-28(24)35;32-18-20-12-14-28-24(16-20)25-17-21(19-33)13-15-29(25)36(28)31-11-5-10-30(34-31)35-26-8-3-1-6-22(26)23-7-2-4-9-27(23)35/h2-18H;1-17H
InChIKeyGNNFUBOTOCEUAQ-UHFFFAOYSA-N
MW919.02 g/mol
LogP14.72
Rot. Bonds4

About 9-(6-carbazol-9-yl-2-pyridinyl)carbazole-3,6-dicarbonitrile;9-[6-(3-isocyanocarbazol-9-yl)-2-pyridinyl]carbazole-3-carbonitrile

9-(6-carbazol-9-yl-2-pyridinyl)carbazole-3,6-dicarbonitrile;9-[6-(3-isocyanocarbazol-9-yl)-2-pyridinyl]carbazole-3-carbonitrile (PubChem CID 158309650) has the molecular formula C62H34N10 and a molecular weight of 919.02 g/mol. Its IUPAC name is 9-(6-carbazol-9-yl-2-pyridinyl)carbazole-3,6-dicarbonitrile;9-[6-(3-isocyanocarbazol-9-yl)-2-pyridinyl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-(6-carbazol-9-yl-2-pyridinyl)carbazole-3,6-dicarbonitrile;9-[6-(3-isocyanocarbazol-9-yl)-2-pyridinyl]carbazole-3-carbonitrile
PubChem CID158309650
Molecular FormulaC62H34N10
Molecular Weight919.02 g/mol
Exact Mass918.30
IUPAC Name9-(6-carbazol-9-yl-2-pyridinyl)carbazole-3,6-dicarbonitrile;9-[6-(3-isocyanocarbazol-9-yl)-2-pyridinyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1cccc(-n2c3ccccc3c3ccccc32)n1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cccc(-n2c3ccccc3c3cc(C#N)ccc32)n1
InChIInChI=1S/2C31H17N5/c1-33-21-14-16-29-25(18-21)23-8-3-5-10-27(23)36(29)31-12-6-11-30(34-31)35-26-9-4-2-7-22(26)24-17-20(19-32)13-15-28(24)35;32-18-20-12-14-28-24(16-20)25-17-21(19-33)13-15-29(25)36(28)31-11-5-10-30(34-31)35-26-8-3-1-6-22(26)23-7-2-4-9-27(23)35/h2-18H;1-17H
InChIKeyGNNFUBOTOCEUAQ-UHFFFAOYSA-N
XLogP14.72
TPSA121.23 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500919.02
LogP ≤ 514.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

9-(6-carbazol-9-yl-2-pyridinyl)carbazole-3,6-dicarbonitrile
CID 118650226
9-[6-(2-isocyano-[1]benzothiolo[2,3-b]carbazol-7-yl)-2-pyridinyl]carbazole-3-carbonitrile
CID 140822672
9-[6-(5-isocyano-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)-2-pyridinyl]carbazole-3-carbonitrile
CID 140823064
9-[4-cyano-2-[5-cyano-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 167401161
9-[3-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 140775511
9-[2-(2-carbazol-9-ylphenyl)phenyl]-6-isocyanocarbazole-3-carbonitrile
CID 159259962
9-[6-(6-isocyano-9-pyridin-2-ylcarbazol-2-yl)oxy-2-pyridinyl]carbazole-3-carbonitrile
CID 140906288
9-[3-[2-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 157137099
6-isocyano-9-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazole-3-carbonitrile
CID 123627774
9-[3-[3-(2-isocyano-11-phenylindolo[3,2-b]carbazol-5-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 140823063
9-[2-cyano-5-(3-cyanophenyl)-4-(3-isocyanocarbazol-9-yl)phenyl]carbazole-3-carbonitrile
CID 155646735
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

Frequently Asked Questions

What is the IUPAC name of 9-(6-carbazol-9-yl-2-pyridinyl)carbazole-3,6-dicarbonitrile;9-[6-(3-isocyanocarbazol-9-yl)-2-pyridinyl]carbazole-3-carbonitrile?
The IUPAC name of 9-(6-carbazol-9-yl-2-pyridinyl)carbazole-3,6-dicarbonitrile;9-[6-(3-isocyanocarbazol-9-yl)-2-pyridinyl]carbazole-3-carbonitrile (CID 158309650) is 9-(6-carbazol-9-yl-2-pyridinyl)carbazole-3,6-dicarbonitrile;9-[6-(3-isocyanocarbazol-9-yl)-2-pyridinyl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-(6-carbazol-9-yl-2-pyridinyl)carbazole-3,6-dicarbonitrile;9-[6-(3-isocyanocarbazol-9-yl)-2-pyridinyl]carbazole-3-carbonitrile?
The canonical SMILES for 9-(6-carbazol-9-yl-2-pyridinyl)carbazole-3,6-dicarbonitrile;9-[6-(3-isocyanocarbazol-9-yl)-2-pyridinyl]carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1cccc(-n2c3ccccc3c3ccccc32)n1.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cccc(-n2c3ccccc3c3cc(C#N)ccc32)n1.
What is the InChIKey of 9-(6-carbazol-9-yl-2-pyridinyl)carbazole-3,6-dicarbonitrile;9-[6-(3-isocyanocarbazol-9-yl)-2-pyridinyl]carbazole-3-carbonitrile?
The InChIKey is GNNFUBOTOCEUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C31H17N5/c1-33-21-14-16-29-25(18-21)23-8-3-5-10-27(23)36(29)31-12-6-11-30(34-31)35-26-9-4-2-7-22(26)24-17-20(19-32)13-15-28(24)35;32-18-20-12-14-28-24(16-20)25-17-21(19-33)13-15-29(25)36(28)31-11-5-10-30(34-31)35-26-8-3-1-6-22(26)23-7-2-4-9-27(23)35/h2-18H;1-17H.
What are the key properties of 9-(6-carbazol-9-yl-2-pyridinyl)carbazole-3,6-dicarbonitrile;9-[6-(3-isocyanocarbazol-9-yl)-2-pyridinyl]carbazole-3-carbonitrile?
9-(6-carbazol-9-yl-2-pyridinyl)carbazole-3,6-dicarbonitrile;9-[6-(3-isocyanocarbazol-9-yl)-2-pyridinyl]carbazole-3-carbonitrile has a molecular weight of 919.02 g/mol, XLogP of 14.72, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-carbazol-9-yl-2-pyridinyl)carbazole-3,6-dicarbonitrile;9-[6-(3-isocyanocarbazol-9-yl)-2-pyridinyl]carbazole-3-carbonitrile is sourced from PubChem (CID 158309650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).