2-[9-[4-(4-cyanophenyl)-5-[2-(2-cyanophenyl)carbazol-9-yl]-2-pyridinyl]carbazol-2-yl]benzonitrile

C50H28N6 — CID 142452311

IUPAC2-[9-[4-(4-cyanophenyl)-5-[2-(2-cyanophenyl)carbazol-9-yl]-2-pyridinyl]carbazol-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2cc(-n3c4ccccc4c4ccc(-c5ccccc5C#N)cc43)ncc2-n2c3ccccc3c3ccc(-c4ccccc4C#N)cc32)cc1
InChIInChI=1S/C50H28N6/c51-28-32-17-19-33(20-18-32)44-27-50(56-46-16-8-6-14-41(46)43-24-22-35(26-48(43)56)39-12-4-2-10-37(39)30-53)54-31-49(44)55-45-15-7-5-13-40(45)42-23-21-34(25-47(42)55)38-11-3-1-9-36(38)29-52/h1-27,31H
InChIKeyMNVKVLVPHXIJHY-UHFFFAOYSA-N
MW712.82 g/mol
LogP11.89
Rot. Bonds5

About 2-[9-[4-(4-cyanophenyl)-5-[2-(2-cyanophenyl)carbazol-9-yl]-2-pyridinyl]carbazol-2-yl]benzonitrile

2-[9-[4-(4-cyanophenyl)-5-[2-(2-cyanophenyl)carbazol-9-yl]-2-pyridinyl]carbazol-2-yl]benzonitrile (PubChem CID 142452311) has the molecular formula C50H28N6 and a molecular weight of 712.82 g/mol. Its IUPAC name is 2-[9-[4-(4-cyanophenyl)-5-[2-(2-cyanophenyl)carbazol-9-yl]-2-pyridinyl]carbazol-2-yl]benzonitrile.

Molecular Properties

Compound Name2-[9-[4-(4-cyanophenyl)-5-[2-(2-cyanophenyl)carbazol-9-yl]-2-pyridinyl]carbazol-2-yl]benzonitrile
PubChem CID142452311
Molecular FormulaC50H28N6
Molecular Weight712.82 g/mol
Exact Mass712.24
IUPAC Name2-[9-[4-(4-cyanophenyl)-5-[2-(2-cyanophenyl)carbazol-9-yl]-2-pyridinyl]carbazol-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2cc(-n3c4ccccc4c4ccc(-c5ccccc5C#N)cc43)ncc2-n2c3ccccc3c3ccc(-c4ccccc4C#N)cc32)cc1
InChIInChI=1S/C50H28N6/c51-28-32-17-19-33(20-18-32)44-27-50(56-46-16-8-6-14-41(46)43-24-22-35(26-48(43)56)39-12-4-2-10-37(39)30-53)54-31-49(44)55-45-15-7-5-13-40(45)42-23-21-34(25-47(42)55)38-11-3-1-9-36(38)29-52/h1-27,31H
InChIKeyMNVKVLVPHXIJHY-UHFFFAOYSA-N
XLogP11.89
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.82
LogP ≤ 511.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile;4-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 158854072
4-[2,5-bis[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146543732
4-[2,5-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146546432
4-[2,5-bis[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146543869
2-[2,5-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 153043769
2-[9-[5-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-(2-cyanophenyl)-2-pyridinyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile
CID 142452327
4-[2,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 146546458
2-[9-[5-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-(4-cyanophenyl)-3-pyridinyl]-7-(2-cyanophenyl)carbazol-2-yl]benzonitrile
CID 166057505
4-[2-[3-(4-methylphenyl)carbazol-9-yl]-5-(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 146543862
4-[2,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544317
4-[9-[5-[2-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-4-(3-cyanophenyl)-2-pyridinyl]carbazol-2-yl]-3-isocyanobenzonitrile
CID 153486534
4-[2,5-bis(11-methylindolo[2,3-a]carbazol-12-yl)-4-pyridinyl]benzonitrile
CID 146546450

Frequently Asked Questions

What is the IUPAC name of 2-[9-[4-(4-cyanophenyl)-5-[2-(2-cyanophenyl)carbazol-9-yl]-2-pyridinyl]carbazol-2-yl]benzonitrile?
The IUPAC name of 2-[9-[4-(4-cyanophenyl)-5-[2-(2-cyanophenyl)carbazol-9-yl]-2-pyridinyl]carbazol-2-yl]benzonitrile (CID 142452311) is 2-[9-[4-(4-cyanophenyl)-5-[2-(2-cyanophenyl)carbazol-9-yl]-2-pyridinyl]carbazol-2-yl]benzonitrile.
What is the SMILES notation for 2-[9-[4-(4-cyanophenyl)-5-[2-(2-cyanophenyl)carbazol-9-yl]-2-pyridinyl]carbazol-2-yl]benzonitrile?
The canonical SMILES for 2-[9-[4-(4-cyanophenyl)-5-[2-(2-cyanophenyl)carbazol-9-yl]-2-pyridinyl]carbazol-2-yl]benzonitrile is N#Cc1ccc(-c2cc(-n3c4ccccc4c4ccc(-c5ccccc5C#N)cc43)ncc2-n2c3ccccc3c3ccc(-c4ccccc4C#N)cc32)cc1.
What is the InChIKey of 2-[9-[4-(4-cyanophenyl)-5-[2-(2-cyanophenyl)carbazol-9-yl]-2-pyridinyl]carbazol-2-yl]benzonitrile?
The InChIKey is MNVKVLVPHXIJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H28N6/c51-28-32-17-19-33(20-18-32)44-27-50(56-46-16-8-6-14-41(46)43-24-22-35(26-48(43)56)39-12-4-2-10-37(39)30-53)54-31-49(44)55-45-15-7-5-13-40(45)42-23-21-34(25-47(42)55)38-11-3-1-9-36(38)29-52/h1-27,31H.
What are the key properties of 2-[9-[4-(4-cyanophenyl)-5-[2-(2-cyanophenyl)carbazol-9-yl]-2-pyridinyl]carbazol-2-yl]benzonitrile?
2-[9-[4-(4-cyanophenyl)-5-[2-(2-cyanophenyl)carbazol-9-yl]-2-pyridinyl]carbazol-2-yl]benzonitrile has a molecular weight of 712.82 g/mol, XLogP of 11.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[4-(4-cyanophenyl)-5-[2-(2-cyanophenyl)carbazol-9-yl]-2-pyridinyl]carbazol-2-yl]benzonitrile is sourced from PubChem (CID 142452311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).