9-[4-methyl-3-[2-methyl-5-[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(2-pyridin-2-ylphenyl)carbazole

C60H42N4 — CID 118857009

IUPAC9-[4-methyl-3-[2-methyl-5-[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(2-pyridin-2-ylphenyl)carbazole
SMILESCc1ccc(-n2c3ccccc3c3cc(-c4ccccc4-c4ccccn4)ccc32)cc1-c1cc(-n2c3ccccc3c3cc(-c4ccccc4-c4ccccn4)ccc32)ccc1C
InChIInChI=1S/C60H42N4/c1-39-25-29-43(63-57-23-9-7-19-49(57)53-35-41(27-31-59(53)63)45-15-3-5-17-47(45)55-21-11-13-33-61-55)37-51(39)52-38-44(30-26-40(52)2)64-58-24-10-8-20-50(58)54-36-42(28-32-60(54)64)46-16-4-6-18-48(46)56-22-12-14-34-62-56/h3-38H,1-2H3
InChIKeyLXJNIMHXYWFKHF-UHFFFAOYSA-N
MW819.02 g/mol
LogP15.62
Rot. Bonds7

About 9-[4-methyl-3-[2-methyl-5-[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(2-pyridin-2-ylphenyl)carbazole

9-[4-methyl-3-[2-methyl-5-[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(2-pyridin-2-ylphenyl)carbazole (PubChem CID 118857009) has the molecular formula C60H42N4 and a molecular weight of 819.02 g/mol. Its IUPAC name is 9-[4-methyl-3-[2-methyl-5-[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(2-pyridin-2-ylphenyl)carbazole.

Molecular Properties

Compound Name9-[4-methyl-3-[2-methyl-5-[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(2-pyridin-2-ylphenyl)carbazole
PubChem CID118857009
Molecular FormulaC60H42N4
Molecular Weight819.02 g/mol
Exact Mass818.34
IUPAC Name9-[4-methyl-3-[2-methyl-5-[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(2-pyridin-2-ylphenyl)carbazole
SMILESCc1ccc(-n2c3ccccc3c3cc(-c4ccccc4-c4ccccn4)ccc32)cc1-c1cc(-n2c3ccccc3c3cc(-c4ccccc4-c4ccccn4)ccc32)ccc1C
InChIInChI=1S/C60H42N4/c1-39-25-29-43(63-57-23-9-7-19-49(57)53-35-41(27-31-59(53)63)45-15-3-5-17-47(45)55-21-11-13-33-61-55)37-51(39)52-38-44(30-26-40(52)2)64-58-24-10-8-20-50(58)54-36-42(28-32-60(54)64)46-16-4-6-18-48(46)56-22-12-14-34-62-56/h3-38H,1-2H3
InChIKeyLXJNIMHXYWFKHF-UHFFFAOYSA-N
XLogP15.62
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.02
LogP ≤ 515.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[4-methyl-3-[2-methyl-5-[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(2-pyridin-2-ylphenyl)carbazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-[4-methyl-3-[2-methyl-5-[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(2-pyridin-2-ylphenyl)carbazole?
The IUPAC name of 9-[4-methyl-3-[2-methyl-5-[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(2-pyridin-2-ylphenyl)carbazole (CID 118857009) is 9-[4-methyl-3-[2-methyl-5-[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(2-pyridin-2-ylphenyl)carbazole.
What is the SMILES notation for 9-[4-methyl-3-[2-methyl-5-[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(2-pyridin-2-ylphenyl)carbazole?
The canonical SMILES for 9-[4-methyl-3-[2-methyl-5-[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(2-pyridin-2-ylphenyl)carbazole is Cc1ccc(-n2c3ccccc3c3cc(-c4ccccc4-c4ccccn4)ccc32)cc1-c1cc(-n2c3ccccc3c3cc(-c4ccccc4-c4ccccn4)ccc32)ccc1C.
What is the InChIKey of 9-[4-methyl-3-[2-methyl-5-[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(2-pyridin-2-ylphenyl)carbazole?
The InChIKey is LXJNIMHXYWFKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N4/c1-39-25-29-43(63-57-23-9-7-19-49(57)53-35-41(27-31-59(53)63)45-15-3-5-17-47(45)55-21-11-13-33-61-55)37-51(39)52-38-44(30-26-40(52)2)64-58-24-10-8-20-50(58)54-36-42(28-32-60(54)64)46-16-4-6-18-48(46)56-22-12-14-34-62-56/h3-38H,1-2H3.
What are the key properties of 9-[4-methyl-3-[2-methyl-5-[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(2-pyridin-2-ylphenyl)carbazole?
9-[4-methyl-3-[2-methyl-5-[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(2-pyridin-2-ylphenyl)carbazole has a molecular weight of 819.02 g/mol, XLogP of 15.62, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-methyl-3-[2-methyl-5-[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(2-pyridin-2-ylphenyl)carbazole is sourced from PubChem (CID 118857009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).