3-carbazol-9-yl-9-[3-[3-[4-(3-carbazol-9-yl-2-methylphenyl)-3-methyl-2-pyridinyl]-2-methylphenyl]-2-methylphenyl]carbazole

C63H46N4 — CID 155771428

IUPAC3-carbazol-9-yl-9-[3-[3-[4-(3-carbazol-9-yl-2-methylphenyl)-3-methyl-2-pyridinyl]-2-methylphenyl]-2-methylphenyl]carbazole
SMILESCc1c(-c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2C)cccc1-c1nccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2C)c1C
InChIInChI=1S/C63H46N4/c1-39-44(23-15-26-48(39)63-42(4)47(36-37-64-63)46-25-17-32-55(41(46)3)66-59-29-12-7-20-51(59)52-21-8-13-30-60(52)66)45-24-16-33-56(40(45)2)67-61-31-14-9-22-53(61)54-38-43(34-35-62(54)67)65-57-27-10-5-18-49(57)50-19-6-11-28-58(50)65/h5-38H,1-4H3
InChIKeyCCBCWNKGRJQXHL-UHFFFAOYSA-N
MW859.09 g/mol
LogP16.61
Rot. Bonds6

About 3-carbazol-9-yl-9-[3-[3-[4-(3-carbazol-9-yl-2-methylphenyl)-3-methyl-2-pyridinyl]-2-methylphenyl]-2-methylphenyl]carbazole

3-carbazol-9-yl-9-[3-[3-[4-(3-carbazol-9-yl-2-methylphenyl)-3-methyl-2-pyridinyl]-2-methylphenyl]-2-methylphenyl]carbazole (PubChem CID 155771428) has the molecular formula C63H46N4 and a molecular weight of 859.09 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[3-[3-[4-(3-carbazol-9-yl-2-methylphenyl)-3-methyl-2-pyridinyl]-2-methylphenyl]-2-methylphenyl]carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-[3-[3-[4-(3-carbazol-9-yl-2-methylphenyl)-3-methyl-2-pyridinyl]-2-methylphenyl]-2-methylphenyl]carbazole
PubChem CID155771428
Molecular FormulaC63H46N4
Molecular Weight859.09 g/mol
Exact Mass858.37
IUPAC Name3-carbazol-9-yl-9-[3-[3-[4-(3-carbazol-9-yl-2-methylphenyl)-3-methyl-2-pyridinyl]-2-methylphenyl]-2-methylphenyl]carbazole
SMILESCc1c(-c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2C)cccc1-c1nccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2C)c1C
InChIInChI=1S/C63H46N4/c1-39-44(23-15-26-48(39)63-42(4)47(36-37-64-63)46-25-17-32-55(41(46)3)66-59-29-12-7-20-51(59)52-21-8-13-30-60(52)66)45-24-16-33-56(40(45)2)67-61-31-14-9-22-53(61)54-38-43(34-35-62(54)67)65-57-27-10-5-18-49(57)50-19-6-11-28-58(50)65/h5-38H,1-4H3
InChIKeyCCBCWNKGRJQXHL-UHFFFAOYSA-N
XLogP16.61
TPSA27.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500859.09
LogP ≤ 516.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-carbazol-9-yl-9-[3-[3-[4-(3-carbazol-9-yl-2-methylphenyl)-3-methyl-2-pyridinyl]-2-methylphenyl]-2-methylphenyl]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 3-carbazol-9-yl-9-[3-[3-[4-(3-carbazol-9-yl-2-methylphenyl)-3-methyl-2-pyridinyl]-2-methylphenyl]-2-methylphenyl]carbazole?
The IUPAC name of 3-carbazol-9-yl-9-[3-[3-[4-(3-carbazol-9-yl-2-methylphenyl)-3-methyl-2-pyridinyl]-2-methylphenyl]-2-methylphenyl]carbazole (CID 155771428) is 3-carbazol-9-yl-9-[3-[3-[4-(3-carbazol-9-yl-2-methylphenyl)-3-methyl-2-pyridinyl]-2-methylphenyl]-2-methylphenyl]carbazole.
What is the SMILES notation for 3-carbazol-9-yl-9-[3-[3-[4-(3-carbazol-9-yl-2-methylphenyl)-3-methyl-2-pyridinyl]-2-methylphenyl]-2-methylphenyl]carbazole?
The canonical SMILES for 3-carbazol-9-yl-9-[3-[3-[4-(3-carbazol-9-yl-2-methylphenyl)-3-methyl-2-pyridinyl]-2-methylphenyl]-2-methylphenyl]carbazole is Cc1c(-c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2C)cccc1-c1nccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2C)c1C.
What is the InChIKey of 3-carbazol-9-yl-9-[3-[3-[4-(3-carbazol-9-yl-2-methylphenyl)-3-methyl-2-pyridinyl]-2-methylphenyl]-2-methylphenyl]carbazole?
The InChIKey is CCBCWNKGRJQXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H46N4/c1-39-44(23-15-26-48(39)63-42(4)47(36-37-64-63)46-25-17-32-55(41(46)3)66-59-29-12-7-20-51(59)52-21-8-13-30-60(52)66)45-24-16-33-56(40(45)2)67-61-31-14-9-22-53(61)54-38-43(34-35-62(54)67)65-57-27-10-5-18-49(57)50-19-6-11-28-58(50)65/h5-38H,1-4H3.
What are the key properties of 3-carbazol-9-yl-9-[3-[3-[4-(3-carbazol-9-yl-2-methylphenyl)-3-methyl-2-pyridinyl]-2-methylphenyl]-2-methylphenyl]carbazole?
3-carbazol-9-yl-9-[3-[3-[4-(3-carbazol-9-yl-2-methylphenyl)-3-methyl-2-pyridinyl]-2-methylphenyl]-2-methylphenyl]carbazole has a molecular weight of 859.09 g/mol, XLogP of 16.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-[3-[3-[4-(3-carbazol-9-yl-2-methylphenyl)-3-methyl-2-pyridinyl]-2-methylphenyl]-2-methylphenyl]carbazole is sourced from PubChem (CID 155771428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).