2-[3,5-bis(2-tert-butylcarbazol-9-yl)-4-pyridinyl]benzonitrile

C44H38N4 — CID 146544402

IUPAC2-[3,5-bis(2-tert-butylcarbazol-9-yl)-4-pyridinyl]benzonitrile
SMILESCC(C)(C)c1ccc2c3ccccc3n(-c3cncc(-n4c5ccccc5c5ccc(C(C)(C)C)cc54)c3-c3ccccc3C#N)c2c1
InChIInChI=1S/C44H38N4/c1-43(2,3)29-19-21-34-32-15-9-11-17-36(32)47(38(34)23-29)40-26-46-27-41(42(40)31-14-8-7-13-28(31)25-45)48-37-18-12-10-16-33(37)35-22-20-30(24-39(35)48)44(4,5)6/h7-24,26-27H,1-6H3
InChIKeyKZKVANFZRLBBSM-UHFFFAOYSA-N
MW622.82 g/mol
LogP11.41
Rot. Bonds3

About 2-[3,5-bis(2-tert-butylcarbazol-9-yl)-4-pyridinyl]benzonitrile

2-[3,5-bis(2-tert-butylcarbazol-9-yl)-4-pyridinyl]benzonitrile (PubChem CID 146544402) has the molecular formula C44H38N4 and a molecular weight of 622.82 g/mol. Its IUPAC name is 2-[3,5-bis(2-tert-butylcarbazol-9-yl)-4-pyridinyl]benzonitrile.

Molecular Properties

Compound Name2-[3,5-bis(2-tert-butylcarbazol-9-yl)-4-pyridinyl]benzonitrile
PubChem CID146544402
Molecular FormulaC44H38N4
Molecular Weight622.82 g/mol
Exact Mass622.31
IUPAC Name2-[3,5-bis(2-tert-butylcarbazol-9-yl)-4-pyridinyl]benzonitrile
SMILESCC(C)(C)c1ccc2c3ccccc3n(-c3cncc(-n4c5ccccc5c5ccc(C(C)(C)C)cc54)c3-c3ccccc3C#N)c2c1
InChIInChI=1S/C44H38N4/c1-43(2,3)29-19-21-34-32-15-9-11-17-36(32)47(38(34)23-29)40-26-46-27-41(42(40)31-14-8-7-13-28(31)25-45)48-37-18-12-10-16-33(37)35-22-20-30(24-39(35)48)44(4,5)6/h7-24,26-27H,1-6H3
InChIKeyKZKVANFZRLBBSM-UHFFFAOYSA-N
XLogP11.41
TPSA46.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.82
LogP ≤ 511.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[3,5-bis(2-tert-butylcarbazol-9-yl)-4-pyridinyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3,5-bis[2-(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 162609734
2-[3,5-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 153248796
2-[3,5-bis[3-(2-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 142452378
2-[3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544406
2-(2-tert-butylcarbazol-9-yl)-4-[3-(2-tert-butylcarbazol-9-yl)-4-cyanophenyl]benzonitrile
CID 138736013
2-[3,5-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146543797
2,5-bis(2-tert-butylcarbazol-9-yl)-4-(4,6-dimethylpyrimidin-2-yl)benzonitrile
CID 155217500
9-[4-(2-cyanophenyl)-5-[2-(4-isocyanophenyl)carbazol-9-yl]-3-pyridinyl]carbazole-2-carbonitrile
CID 153486506
2-[3,5-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544225
2,5-bis(3-tert-butylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile
CID 134292536
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
3-[2,5-bis(3-tert-butylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile
CID 159452208

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(2-tert-butylcarbazol-9-yl)-4-pyridinyl]benzonitrile?
The IUPAC name of 2-[3,5-bis(2-tert-butylcarbazol-9-yl)-4-pyridinyl]benzonitrile (CID 146544402) is 2-[3,5-bis(2-tert-butylcarbazol-9-yl)-4-pyridinyl]benzonitrile.
What is the SMILES notation for 2-[3,5-bis(2-tert-butylcarbazol-9-yl)-4-pyridinyl]benzonitrile?
The canonical SMILES for 2-[3,5-bis(2-tert-butylcarbazol-9-yl)-4-pyridinyl]benzonitrile is CC(C)(C)c1ccc2c3ccccc3n(-c3cncc(-n4c5ccccc5c5ccc(C(C)(C)C)cc54)c3-c3ccccc3C#N)c2c1.
What is the InChIKey of 2-[3,5-bis(2-tert-butylcarbazol-9-yl)-4-pyridinyl]benzonitrile?
The InChIKey is KZKVANFZRLBBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H38N4/c1-43(2,3)29-19-21-34-32-15-9-11-17-36(32)47(38(34)23-29)40-26-46-27-41(42(40)31-14-8-7-13-28(31)25-45)48-37-18-12-10-16-33(37)35-22-20-30(24-39(35)48)44(4,5)6/h7-24,26-27H,1-6H3.
What are the key properties of 2-[3,5-bis(2-tert-butylcarbazol-9-yl)-4-pyridinyl]benzonitrile?
2-[3,5-bis(2-tert-butylcarbazol-9-yl)-4-pyridinyl]benzonitrile has a molecular weight of 622.82 g/mol, XLogP of 11.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(2-tert-butylcarbazol-9-yl)-4-pyridinyl]benzonitrile is sourced from PubChem (CID 146544402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).