4-[2-[3-(4-methylphenyl)carbazol-9-yl]-5-(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile

C49H32N4 — CID 146543862

IUPAC4-[2-[3-(4-methylphenyl)carbazol-9-yl]-5-(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile
SMILESCc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccc(C#N)cc3)c(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)cn2)cc1
InChIInChI=1S/C49H32N4/c1-32-15-19-35(20-16-32)38-24-26-47-43(28-38)40-12-6-8-14-45(40)53(47)49-29-41(36-21-17-33(30-50)18-22-36)48(31-51-49)52-44-13-7-5-11-39(44)42-27-37(23-25-46(42)52)34-9-3-2-4-10-34/h2-29,31H,1H3
InChIKeyYDKFMTBSBQGISC-UHFFFAOYSA-N
MW676.82 g/mol
LogP12.46
Rot. Bonds5

About 4-[2-[3-(4-methylphenyl)carbazol-9-yl]-5-(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile

4-[2-[3-(4-methylphenyl)carbazol-9-yl]-5-(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile (PubChem CID 146543862) has the molecular formula C49H32N4 and a molecular weight of 676.82 g/mol. Its IUPAC name is 4-[2-[3-(4-methylphenyl)carbazol-9-yl]-5-(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile.

Molecular Properties

Compound Name4-[2-[3-(4-methylphenyl)carbazol-9-yl]-5-(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile
PubChem CID146543862
Molecular FormulaC49H32N4
Molecular Weight676.82 g/mol
Exact Mass676.26
IUPAC Name4-[2-[3-(4-methylphenyl)carbazol-9-yl]-5-(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile
SMILESCc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccc(C#N)cc3)c(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)cn2)cc1
InChIInChI=1S/C49H32N4/c1-32-15-19-35(20-16-32)38-24-26-47-43(28-38)40-12-6-8-14-45(40)53(47)49-29-41(36-21-17-33(30-50)18-22-36)48(31-51-49)52-44-13-7-5-11-39(44)42-27-37(23-25-46(42)52)34-9-3-2-4-10-34/h2-29,31H,1H3
InChIKeyYDKFMTBSBQGISC-UHFFFAOYSA-N
XLogP12.46
TPSA46.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.82
LogP ≤ 512.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2,5-bis[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146543732
4-[2,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 146546458
3-[9-[5-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-4-(4-cyanophenyl)-2-pyridinyl]-6-(3-cyanophenyl)carbazol-3-yl]benzonitrile
CID 142452279
4-[2,5-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146546432
3-[2,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[2,5-bis(2,7-diphenylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-bis(2-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-bis(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 159913359
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
3-[2,5-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544320
4-[2,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544317
2-[9-[4-(4-cyanophenyl)-5-[2-(2-cyanophenyl)carbazol-9-yl]-2-pyridinyl]carbazol-2-yl]benzonitrile
CID 142452311
4-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-3-[2-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-5-cyanophenyl]benzonitrile
CID 167035208
4-[3,5-bis(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 146546484
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 4-[2-[3-(4-methylphenyl)carbazol-9-yl]-5-(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile?
The IUPAC name of 4-[2-[3-(4-methylphenyl)carbazol-9-yl]-5-(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile (CID 146543862) is 4-[2-[3-(4-methylphenyl)carbazol-9-yl]-5-(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile.
What is the SMILES notation for 4-[2-[3-(4-methylphenyl)carbazol-9-yl]-5-(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile?
The canonical SMILES for 4-[2-[3-(4-methylphenyl)carbazol-9-yl]-5-(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile is Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccc(C#N)cc3)c(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)cn2)cc1.
What is the InChIKey of 4-[2-[3-(4-methylphenyl)carbazol-9-yl]-5-(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile?
The InChIKey is YDKFMTBSBQGISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N4/c1-32-15-19-35(20-16-32)38-24-26-47-43(28-38)40-12-6-8-14-45(40)53(47)49-29-41(36-21-17-33(30-50)18-22-36)48(31-51-49)52-44-13-7-5-11-39(44)42-27-37(23-25-46(42)52)34-9-3-2-4-10-34/h2-29,31H,1H3.
What are the key properties of 4-[2-[3-(4-methylphenyl)carbazol-9-yl]-5-(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile?
4-[2-[3-(4-methylphenyl)carbazol-9-yl]-5-(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile has a molecular weight of 676.82 g/mol, XLogP of 12.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(4-methylphenyl)carbazol-9-yl]-5-(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile is sourced from PubChem (CID 146543862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).