4-[4-[2-[9-(4-methylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile

C44H29N3 — CID 145134822

IUPAC4-[4-[2-[9-(4-methylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
SMILESCc1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6ccc(-c7ccc(C#N)cc7)cc6)c5c4)ccc32)cc1
InChIInChI=1S/C44H29N3/c1-29-10-20-35(21-11-29)46-42-9-5-3-7-38(42)40-26-33(19-25-43(40)46)34-18-24-39-37-6-2-4-8-41(37)47(44(39)27-34)36-22-16-32(17-23-36)31-14-12-30(28-45)13-15-31/h2-27H,1H3
InChIKeyVUJZNWPAXYUAGS-UHFFFAOYSA-N
MW599.74 g/mol
LogP11.39
Rot. Bonds4

About 4-[4-[2-[9-(4-methylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile

4-[4-[2-[9-(4-methylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile (PubChem CID 145134822) has the molecular formula C44H29N3 and a molecular weight of 599.74 g/mol. Its IUPAC name is 4-[4-[2-[9-(4-methylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile.

Molecular Properties

Compound Name4-[4-[2-[9-(4-methylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
PubChem CID145134822
Molecular FormulaC44H29N3
Molecular Weight599.74 g/mol
Exact Mass599.24
IUPAC Name4-[4-[2-[9-(4-methylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
SMILESCc1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6ccc(-c7ccc(C#N)cc7)cc6)c5c4)ccc32)cc1
InChIInChI=1S/C44H29N3/c1-29-10-20-35(21-11-29)46-42-9-5-3-7-38(42)40-26-33(19-25-43(40)46)34-18-24-39-37-6-2-4-8-41(37)47(44(39)27-34)36-22-16-32(17-23-36)31-14-12-30(28-45)13-15-31/h2-27H,1H3
InChIKeyVUJZNWPAXYUAGS-UHFFFAOYSA-N
XLogP11.39
TPSA33.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.74
LogP ≤ 511.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[2-[9-(4-cyanophenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 153301946
4-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 129065173
6-(4-carbazol-9-ylphenyl)-9-phenylcarbazole-2-carbonitrile
CID 126690271
2-methyl-6-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole;2-methyl-7-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole;6-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole-3-carbonitrile
CID 160584678
2-[9-(4-methylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 135248578
4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]benzonitrile
CID 118632433
4-[4-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 126747004
4-[3,5-bis(2,6-diphenylcarbazol-9-yl)phenyl]benzonitrile
CID 148822531
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile
CID 159170044
4-[3-[5-[3,5-bis[9-(4-cyanophenyl)carbazol-3-yl]-4-methylphenyl]-3-[9-(4-cyanophenyl)carbazol-3-yl]-2-methylphenyl]carbazol-9-yl]benzonitrile
CID 89018423
4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile
CID 59399298
9-(4-phenylphenyl)-2-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 121285556

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[9-(4-methylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile?
The IUPAC name of 4-[4-[2-[9-(4-methylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile (CID 145134822) is 4-[4-[2-[9-(4-methylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile.
What is the SMILES notation for 4-[4-[2-[9-(4-methylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile?
The canonical SMILES for 4-[4-[2-[9-(4-methylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile is Cc1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6ccc(-c7ccc(C#N)cc7)cc6)c5c4)ccc32)cc1.
What is the InChIKey of 4-[4-[2-[9-(4-methylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile?
The InChIKey is VUJZNWPAXYUAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N3/c1-29-10-20-35(21-11-29)46-42-9-5-3-7-38(42)40-26-33(19-25-43(40)46)34-18-24-39-37-6-2-4-8-41(37)47(44(39)27-34)36-22-16-32(17-23-36)31-14-12-30(28-45)13-15-31/h2-27H,1H3.
What are the key properties of 4-[4-[2-[9-(4-methylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile?
4-[4-[2-[9-(4-methylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile has a molecular weight of 599.74 g/mol, XLogP of 11.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[9-(4-methylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile is sourced from PubChem (CID 145134822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).