4-[3,5-bis[2-(3,6-dimethylcarbazol-9-yl)phenyl]-4-pyridinyl]benzene-1,2-dicarbonitrile

C53H37N5 — CID 166759106

IUPAC4-[3,5-bis[2-(3,6-dimethylcarbazol-9-yl)phenyl]-4-pyridinyl]benzene-1,2-dicarbonitrile
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccccc1-c1cncc(-c2ccccc2-n2c3ccc(C)cc3c3cc(C)ccc32)c1-c1ccc(C#N)c(C#N)c1
InChIInChI=1S/C53H37N5/c1-32-13-19-49-41(23-32)42-24-33(2)14-20-50(42)57(49)47-11-7-5-9-39(47)45-30-56-31-46(53(45)36-17-18-37(28-54)38(27-36)29-55)40-10-6-8-12-48(40)58-51-21-15-34(3)25-43(51)44-26-35(4)16-22-52(44)58/h5-27,30-31H,1-4H3
InChIKeyLYAGAGRZOFDBOM-UHFFFAOYSA-N
MW743.91 g/mol
LogP13.25
Rot. Bonds5

About 4-[3,5-bis[2-(3,6-dimethylcarbazol-9-yl)phenyl]-4-pyridinyl]benzene-1,2-dicarbonitrile

4-[3,5-bis[2-(3,6-dimethylcarbazol-9-yl)phenyl]-4-pyridinyl]benzene-1,2-dicarbonitrile (PubChem CID 166759106) has the molecular formula C53H37N5 and a molecular weight of 743.91 g/mol. Its IUPAC name is 4-[3,5-bis[2-(3,6-dimethylcarbazol-9-yl)phenyl]-4-pyridinyl]benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4-[3,5-bis[2-(3,6-dimethylcarbazol-9-yl)phenyl]-4-pyridinyl]benzene-1,2-dicarbonitrile
PubChem CID166759106
Molecular FormulaC53H37N5
Molecular Weight743.91 g/mol
Exact Mass743.30
IUPAC Name4-[3,5-bis[2-(3,6-dimethylcarbazol-9-yl)phenyl]-4-pyridinyl]benzene-1,2-dicarbonitrile
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccccc1-c1cncc(-c2ccccc2-n2c3ccc(C)cc3c3cc(C)ccc32)c1-c1ccc(C#N)c(C#N)c1
InChIInChI=1S/C53H37N5/c1-32-13-19-49-41(23-32)42-24-33(2)14-20-50(42)57(49)47-11-7-5-9-39(47)45-30-56-31-46(53(45)36-17-18-37(28-54)38(27-36)29-55)40-10-6-8-12-48(40)58-51-21-15-34(3)25-43(51)44-26-35(4)16-22-52(44)58/h5-27,30-31H,1-4H3
InChIKeyLYAGAGRZOFDBOM-UHFFFAOYSA-N
XLogP13.25
TPSA70.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.91
LogP ≤ 513.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3,5-bis[2-(3-methylcarbazol-9-yl)phenyl]-2,6-diphenyl-4-pyridinyl]benzene-1,2-dicarbonitrile
CID 166759184
2-(3,6-dimethylcarbazol-9-yl)benzonitrile
CID 175004217
4-[3,5-bis(3,6-dimethylcarbazol-9-yl)-2,6-diphenyl-4-pyridinyl]benzene-1,2-dicarbonitrile
CID 166759116
4-[3,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-pyridinyl]benzene-1,2-dicarbonitrile
CID 166759079
4-[3,5-bis(3-phenylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile
CID 166759136
4-[2,3-bis(3-methylcarbazol-9-yl)phenyl]-2-phenylbenzonitrile
CID 156678684
2-[3,5-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146543797
2-[3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544406
5-[3-cyano-4-(3,6-dimethylcarbazol-9-yl)phenyl]pyrimidine-2-carbonitrile
CID 174343626
3,6-dimethyl-9-[2-[2-(3-methylcarbazol-9-yl)phenyl]phenyl]carbazole
CID 170060425
9-[2-(2-carbazol-9-ylphenyl)phenyl]-3-methylcarbazole
CID 170201849
2-[2-[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]benzonitrile
CID 122430895

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-bis[2-(3,6-dimethylcarbazol-9-yl)phenyl]-4-pyridinyl]benzene-1,2-dicarbonitrile?
The IUPAC name of 4-[3,5-bis[2-(3,6-dimethylcarbazol-9-yl)phenyl]-4-pyridinyl]benzene-1,2-dicarbonitrile (CID 166759106) is 4-[3,5-bis[2-(3,6-dimethylcarbazol-9-yl)phenyl]-4-pyridinyl]benzene-1,2-dicarbonitrile.
What is the SMILES notation for 4-[3,5-bis[2-(3,6-dimethylcarbazol-9-yl)phenyl]-4-pyridinyl]benzene-1,2-dicarbonitrile?
The canonical SMILES for 4-[3,5-bis[2-(3,6-dimethylcarbazol-9-yl)phenyl]-4-pyridinyl]benzene-1,2-dicarbonitrile is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccccc1-c1cncc(-c2ccccc2-n2c3ccc(C)cc3c3cc(C)ccc32)c1-c1ccc(C#N)c(C#N)c1.
What is the InChIKey of 4-[3,5-bis[2-(3,6-dimethylcarbazol-9-yl)phenyl]-4-pyridinyl]benzene-1,2-dicarbonitrile?
The InChIKey is LYAGAGRZOFDBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37N5/c1-32-13-19-49-41(23-32)42-24-33(2)14-20-50(42)57(49)47-11-7-5-9-39(47)45-30-56-31-46(53(45)36-17-18-37(28-54)38(27-36)29-55)40-10-6-8-12-48(40)58-51-21-15-34(3)25-43(51)44-26-35(4)16-22-52(44)58/h5-27,30-31H,1-4H3.
What are the key properties of 4-[3,5-bis[2-(3,6-dimethylcarbazol-9-yl)phenyl]-4-pyridinyl]benzene-1,2-dicarbonitrile?
4-[3,5-bis[2-(3,6-dimethylcarbazol-9-yl)phenyl]-4-pyridinyl]benzene-1,2-dicarbonitrile has a molecular weight of 743.91 g/mol, XLogP of 13.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-bis[2-(3,6-dimethylcarbazol-9-yl)phenyl]-4-pyridinyl]benzene-1,2-dicarbonitrile is sourced from PubChem (CID 166759106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).