9-[4-[4-isocyano-2-(2-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-2-methylcarbazole;9-[4-[5-isocyano-2-(2-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-2-methylcarbazole

C76H52N8 — CID 160555699

IUPAC9-[4-[4-isocyano-2-(2-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-2-methylcarbazole;9-[4-[5-isocyano-2-(2-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-2-methylcarbazole
SMILES[C-]#[N+]c1ccc(-c2ccncc2-n2c3ccccc3c3ccc(C)cc32)c(-n2c3ccccc3c3ccc(C)cc32)c1.[C-]#[N+]c1ccc(-n2c3ccccc3c3ccc(C)cc32)c(-c2ccncc2-n2c3ccccc3c3ccc(C)cc32)c1
InChIInChI=1S/2C38H26N4/c1-24-12-15-29-27-8-4-6-10-33(27)41(36(29)20-24)35-17-14-26(39-3)22-32(35)31-18-19-40-23-38(31)42-34-11-7-5-9-28(34)30-16-13-25(2)21-37(30)42;1-24-12-15-29-27-8-4-6-10-33(27)41(35(29)20-24)37-22-26(39-3)14-17-31(37)32-18-19-40-23-38(32)42-34-11-7-5-9-28(34)30-16-13-25(2)21-36(30)42/h2*4-23H,1-2H3
InChIKeyQYQQARBCUFAXAC-UHFFFAOYSA-N
MW1077.31 g/mol
LogP20.22
Rot. Bonds6

About 9-[4-[4-isocyano-2-(2-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-2-methylcarbazole;9-[4-[5-isocyano-2-(2-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-2-methylcarbazole

9-[4-[4-isocyano-2-(2-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-2-methylcarbazole;9-[4-[5-isocyano-2-(2-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-2-methylcarbazole (PubChem CID 160555699) has the molecular formula C76H52N8 and a molecular weight of 1077.31 g/mol. Its IUPAC name is 9-[4-[4-isocyano-2-(2-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-2-methylcarbazole;9-[4-[5-isocyano-2-(2-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-2-methylcarbazole.

Molecular Properties

Compound Name9-[4-[4-isocyano-2-(2-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-2-methylcarbazole;9-[4-[5-isocyano-2-(2-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-2-methylcarbazole
PubChem CID160555699
Molecular FormulaC76H52N8
Molecular Weight1077.31 g/mol
Exact Mass1076.43
IUPAC Name9-[4-[4-isocyano-2-(2-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-2-methylcarbazole;9-[4-[5-isocyano-2-(2-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-2-methylcarbazole
SMILES[C-]#[N+]c1ccc(-c2ccncc2-n2c3ccccc3c3ccc(C)cc32)c(-n2c3ccccc3c3ccc(C)cc32)c1.[C-]#[N+]c1ccc(-n2c3ccccc3c3ccc(C)cc32)c(-c2ccncc2-n2c3ccccc3c3ccc(C)cc32)c1
InChIInChI=1S/2C38H26N4/c1-24-12-15-29-27-8-4-6-10-33(27)41(36(29)20-24)35-17-14-26(39-3)22-32(35)31-18-19-40-23-38(31)42-34-11-7-5-9-28(34)30-16-13-25(2)21-37(30)42;1-24-12-15-29-27-8-4-6-10-33(27)41(35(29)20-24)37-22-26(39-3)14-17-31(37)32-18-19-40-23-38(32)42-34-11-7-5-9-28(34)30-16-13-25(2)21-36(30)42/h2*4-23H,1-2H3
InChIKeyQYQQARBCUFAXAC-UHFFFAOYSA-N
XLogP20.22
TPSA54.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001077.31
LogP ≤ 520.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 9-[4-[4-isocyano-2-(2-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-2-methylcarbazole;9-[4-[5-isocyano-2-(2-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-2-methylcarbazole with MolForge

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Related Compounds

9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-[4-isocyano-2-(2-methylcarbazol-9-yl)phenyl]phenyl]-2-methylcarbazole;9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-[5-isocyano-2-(2-methylcarbazol-9-yl)phenyl]phenyl]-2-methylcarbazole
CID 158761736
9-[4-[3,5-bis(trifluoromethyl)phenyl]-2-[4-isocyano-2-(2-methylcarbazol-9-yl)phenyl]phenyl]-2-methylcarbazole
CID 160809909
9-[2-(2-carbazol-9-ylphenyl)phenyl]-3,6-diisocyanocarbazole
CID 159275273
9-[4-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-[4-(3-isocyanocarbazol-9-yl)-3-pyridinyl]phenyl]-3-methylcarbazole
CID 161040267
9-[4-(2-isocyanophenyl)-5-(2-methylcarbazol-9-yl)-2-pyridinyl]-2-methylcarbazole
CID 153486525
9-[4-isocyano-2-[2-(2-methylcarbazol-9-yl)-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]phenyl]-2-methylcarbazole
CID 162110190
4-[4-[4-isocyano-2-(3-methylcarbazol-9-yl)phenyl]-3-(3-methylcarbazol-9-yl)phenyl]-2,3,6-trimethyl-5-(trifluoromethyl)benzonitrile;4-[4-[5-isocyano-2-(3-methylcarbazol-9-yl)phenyl]-3-(3-methylcarbazol-9-yl)phenyl]-2,3,6-trimethyl-5-(trifluoromethyl)benzonitrile
CID 159440352
3-[3-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-pyridinyl]-4-[3,6-bis(4-isocyanophenyl)carbazol-9-yl]benzonitrile;4-[9-[4-[5-cyano-2-[3-(2-cyano-4-isocyanophenyl)carbazol-9-yl]phenyl]-3-pyridinyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[9-[4-[5-cyano-2-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]phenyl]-3-pyridinyl]-6-(4-cyano-2-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;3-[3-[3-(4-cyanophenyl)carbazol-9-yl]-4-pyridinyl]-4-[3-(4-isocyanophenyl)carbazol-9-yl]benzonitrile
CID 157163475
3-tert-butyl-9-[4-[2-(3-tert-butylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]carbazole;9-[4-[2-(3,6-dimethylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-3,6-dimethylcarbazole;9-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-methylcarbazole
CID 162162461
3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]carbazole
CID 153435087
4-(3,6-dimethylcarbazol-9-yl)-3-[3-(3,6-dimethylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 146409744
3,6-dimethyl-9-[2-[2-(3-methylcarbazol-9-yl)phenyl]phenyl]carbazole
CID 170060425

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-isocyano-2-(2-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-2-methylcarbazole;9-[4-[5-isocyano-2-(2-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-2-methylcarbazole?
The IUPAC name of 9-[4-[4-isocyano-2-(2-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-2-methylcarbazole;9-[4-[5-isocyano-2-(2-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-2-methylcarbazole (CID 160555699) is 9-[4-[4-isocyano-2-(2-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-2-methylcarbazole;9-[4-[5-isocyano-2-(2-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-2-methylcarbazole.
What is the SMILES notation for 9-[4-[4-isocyano-2-(2-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-2-methylcarbazole;9-[4-[5-isocyano-2-(2-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-2-methylcarbazole?
The canonical SMILES for 9-[4-[4-isocyano-2-(2-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-2-methylcarbazole;9-[4-[5-isocyano-2-(2-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-2-methylcarbazole is [C-]#[N+]c1ccc(-c2ccncc2-n2c3ccccc3c3ccc(C)cc32)c(-n2c3ccccc3c3ccc(C)cc32)c1.[C-]#[N+]c1ccc(-n2c3ccccc3c3ccc(C)cc32)c(-c2ccncc2-n2c3ccccc3c3ccc(C)cc32)c1.
What is the InChIKey of 9-[4-[4-isocyano-2-(2-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-2-methylcarbazole;9-[4-[5-isocyano-2-(2-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-2-methylcarbazole?
The InChIKey is QYQQARBCUFAXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C38H26N4/c1-24-12-15-29-27-8-4-6-10-33(27)41(36(29)20-24)35-17-14-26(39-3)22-32(35)31-18-19-40-23-38(31)42-34-11-7-5-9-28(34)30-16-13-25(2)21-37(30)42;1-24-12-15-29-27-8-4-6-10-33(27)41(35(29)20-24)37-22-26(39-3)14-17-31(37)32-18-19-40-23-38(32)42-34-11-7-5-9-28(34)30-16-13-25(2)21-36(30)42/h2*4-23H,1-2H3.
What are the key properties of 9-[4-[4-isocyano-2-(2-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-2-methylcarbazole;9-[4-[5-isocyano-2-(2-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-2-methylcarbazole?
9-[4-[4-isocyano-2-(2-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-2-methylcarbazole;9-[4-[5-isocyano-2-(2-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-2-methylcarbazole has a molecular weight of 1077.31 g/mol, XLogP of 20.22, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-isocyano-2-(2-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-2-methylcarbazole;9-[4-[5-isocyano-2-(2-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-2-methylcarbazole is sourced from PubChem (CID 160555699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).