9-[3-methyl-4-[6-methyl-4-[2-methyl-6-[2-methyl-4-(3-phenylcarbazol-9-yl)phenyl]-4-pyridinyl]-2-pyridinyl]phenyl]-3-phenylcarbazole

C62H46N4 — CID 123907437

IUPAC9-[3-methyl-4-[6-methyl-4-[2-methyl-6-[2-methyl-4-(3-phenylcarbazol-9-yl)phenyl]-4-pyridinyl]-2-pyridinyl]phenyl]-3-phenylcarbazole
SMILESCc1cc(-c2cc(C)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccccc6)ccc54)cc3C)c2)cc(-c2ccc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)cc2C)n1
InChIInChI=1S/C62H46N4/c1-39-31-49(65-59-21-13-11-19-53(59)55-35-45(23-29-61(55)65)43-15-7-5-8-16-43)25-27-51(39)57-37-47(33-41(3)63-57)48-34-42(4)64-58(38-48)52-28-26-50(32-40(52)2)66-60-22-14-12-20-54(60)56-36-46(24-30-62(56)66)44-17-9-6-10-18-44/h5-38H,1-4H3
InChIKeyNAWKPLBTECJVDN-UHFFFAOYSA-N
MW847.08 g/mol
LogP16.24
Rot. Bonds7

About 9-[3-methyl-4-[6-methyl-4-[2-methyl-6-[2-methyl-4-(3-phenylcarbazol-9-yl)phenyl]-4-pyridinyl]-2-pyridinyl]phenyl]-3-phenylcarbazole

9-[3-methyl-4-[6-methyl-4-[2-methyl-6-[2-methyl-4-(3-phenylcarbazol-9-yl)phenyl]-4-pyridinyl]-2-pyridinyl]phenyl]-3-phenylcarbazole (PubChem CID 123907437) has the molecular formula C62H46N4 and a molecular weight of 847.08 g/mol. Its IUPAC name is 9-[3-methyl-4-[6-methyl-4-[2-methyl-6-[2-methyl-4-(3-phenylcarbazol-9-yl)phenyl]-4-pyridinyl]-2-pyridinyl]phenyl]-3-phenylcarbazole.

Molecular Properties

Compound Name9-[3-methyl-4-[6-methyl-4-[2-methyl-6-[2-methyl-4-(3-phenylcarbazol-9-yl)phenyl]-4-pyridinyl]-2-pyridinyl]phenyl]-3-phenylcarbazole
PubChem CID123907437
Molecular FormulaC62H46N4
Molecular Weight847.08 g/mol
Exact Mass846.37
IUPAC Name9-[3-methyl-4-[6-methyl-4-[2-methyl-6-[2-methyl-4-(3-phenylcarbazol-9-yl)phenyl]-4-pyridinyl]-2-pyridinyl]phenyl]-3-phenylcarbazole
SMILESCc1cc(-c2cc(C)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccccc6)ccc54)cc3C)c2)cc(-c2ccc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)cc2C)n1
InChIInChI=1S/C62H46N4/c1-39-31-49(65-59-21-13-11-19-53(59)55-35-45(23-29-61(55)65)43-15-7-5-8-16-43)25-27-51(39)57-37-47(33-41(3)63-57)48-34-42(4)64-58(38-48)52-28-26-50(32-40(52)2)66-60-22-14-12-20-54(60)56-36-46(24-30-62(56)66)44-17-9-6-10-18-44/h5-38H,1-4H3
InChIKeyNAWKPLBTECJVDN-UHFFFAOYSA-N
XLogP16.24
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500847.08
LogP ≤ 516.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[3-methyl-4-[6-methyl-4-[2-methyl-6-[2-methyl-4-(3-phenylcarbazol-9-yl)phenyl]-4-pyridinyl]-2-pyridinyl]phenyl]-3-phenylcarbazole 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

3-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 71286913
3-(2,6-diphenyl-4-pyridinyl)-9-phenylcarbazole
CID 70934573
9-[3-methyl-4-[6-[5-[2-methyl-5-(3-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]-2-pyridinyl]phenyl]-3-phenylcarbazole
CID 123834159
9-(3-methyl-4-phenylphenyl)carbazole
CID 138667631
3-carbazol-9-yl-6-(3,6-dimethylcarbazol-9-yl)-9-[4-[4-(2,6-diphenylpyrimidin-4-yl)-2-methylphenyl]phenyl]carbazole;3-carbazol-9-yl-6-(3,6-dimethylcarbazol-9-yl)-9-[4-[4-(2,6-diphenylpyrimidin-4-yl)-3-methylphenyl]phenyl]carbazole;3-carbazol-9-yl-6-(3,6-dimethylcarbazol-9-yl)-9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-methylphenyl]carbazole
CID 162157887
[4-[3-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-trimethylsilane
CID 71286923
3-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-(4-methylphenyl)carbazole
CID 71286941
3-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 161437197
2-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 58511300
9-[4-(3,5-diphenylphenyl)phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 118231210
3-[9-[4-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[7-(2,6-diphenyl-4-pyridinyl)-9,9-dimethylfluoren-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]phenyl]carbazole
CID 159697484
9-[4-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]-3-methylphenyl]phenyl]-3-carbazol-9-ylcarbazole
CID 126730465

Frequently Asked Questions

What is the IUPAC name of 9-[3-methyl-4-[6-methyl-4-[2-methyl-6-[2-methyl-4-(3-phenylcarbazol-9-yl)phenyl]-4-pyridinyl]-2-pyridinyl]phenyl]-3-phenylcarbazole?
The IUPAC name of 9-[3-methyl-4-[6-methyl-4-[2-methyl-6-[2-methyl-4-(3-phenylcarbazol-9-yl)phenyl]-4-pyridinyl]-2-pyridinyl]phenyl]-3-phenylcarbazole (CID 123907437) is 9-[3-methyl-4-[6-methyl-4-[2-methyl-6-[2-methyl-4-(3-phenylcarbazol-9-yl)phenyl]-4-pyridinyl]-2-pyridinyl]phenyl]-3-phenylcarbazole.
What is the SMILES notation for 9-[3-methyl-4-[6-methyl-4-[2-methyl-6-[2-methyl-4-(3-phenylcarbazol-9-yl)phenyl]-4-pyridinyl]-2-pyridinyl]phenyl]-3-phenylcarbazole?
The canonical SMILES for 9-[3-methyl-4-[6-methyl-4-[2-methyl-6-[2-methyl-4-(3-phenylcarbazol-9-yl)phenyl]-4-pyridinyl]-2-pyridinyl]phenyl]-3-phenylcarbazole is Cc1cc(-c2cc(C)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccccc6)ccc54)cc3C)c2)cc(-c2ccc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)cc2C)n1.
What is the InChIKey of 9-[3-methyl-4-[6-methyl-4-[2-methyl-6-[2-methyl-4-(3-phenylcarbazol-9-yl)phenyl]-4-pyridinyl]-2-pyridinyl]phenyl]-3-phenylcarbazole?
The InChIKey is NAWKPLBTECJVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H46N4/c1-39-31-49(65-59-21-13-11-19-53(59)55-35-45(23-29-61(55)65)43-15-7-5-8-16-43)25-27-51(39)57-37-47(33-41(3)63-57)48-34-42(4)64-58(38-48)52-28-26-50(32-40(52)2)66-60-22-14-12-20-54(60)56-36-46(24-30-62(56)66)44-17-9-6-10-18-44/h5-38H,1-4H3.
What are the key properties of 9-[3-methyl-4-[6-methyl-4-[2-methyl-6-[2-methyl-4-(3-phenylcarbazol-9-yl)phenyl]-4-pyridinyl]-2-pyridinyl]phenyl]-3-phenylcarbazole?
9-[3-methyl-4-[6-methyl-4-[2-methyl-6-[2-methyl-4-(3-phenylcarbazol-9-yl)phenyl]-4-pyridinyl]-2-pyridinyl]phenyl]-3-phenylcarbazole has a molecular weight of 847.08 g/mol, XLogP of 16.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-methyl-4-[6-methyl-4-[2-methyl-6-[2-methyl-4-(3-phenylcarbazol-9-yl)phenyl]-4-pyridinyl]-2-pyridinyl]phenyl]-3-phenylcarbazole is sourced from PubChem (CID 123907437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).