9-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]-3-methylphenyl]-N,N-diphenylcarbazol-3-amine

C49H38N4 — CID 126730685

IUPAC9-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]-3-methylphenyl]-N,N-diphenylcarbazol-3-amine
SMILESCc1cccc(-c2cc(-c3ccc(-n4c5ccccc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)cc3C)nc(-c3cccc(C)c3)n2)c1
InChIInChI=1S/C49H38N4/c1-33-14-12-16-36(28-33)45-32-46(51-49(50-45)37-17-13-15-34(2)29-37)42-26-24-40(30-35(42)3)53-47-23-11-10-22-43(47)44-31-41(25-27-48(44)53)52(38-18-6-4-7-19-38)39-20-8-5-9-21-39/h4-32H,1-3H3
InChIKeyYPVGTOKVEFYALS-UHFFFAOYSA-N
MW682.87 g/mol
LogP12.97
Rot. Bonds7

About 9-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]-3-methylphenyl]-N,N-diphenylcarbazol-3-amine

9-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]-3-methylphenyl]-N,N-diphenylcarbazol-3-amine (PubChem CID 126730685) has the molecular formula C49H38N4 and a molecular weight of 682.87 g/mol. Its IUPAC name is 9-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]-3-methylphenyl]-N,N-diphenylcarbazol-3-amine.

Molecular Properties

Compound Name9-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]-3-methylphenyl]-N,N-diphenylcarbazol-3-amine
PubChem CID126730685
Molecular FormulaC49H38N4
Molecular Weight682.87 g/mol
Exact Mass682.31
IUPAC Name9-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]-3-methylphenyl]-N,N-diphenylcarbazol-3-amine
SMILESCc1cccc(-c2cc(-c3ccc(-n4c5ccccc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)cc3C)nc(-c3cccc(C)c3)n2)c1
InChIInChI=1S/C49H38N4/c1-33-14-12-16-36(28-33)45-32-46(51-49(50-45)37-17-13-15-34(2)29-37)42-26-24-40(30-35(42)3)53-47-23-11-10-22-43(47)44-31-41(25-27-48(44)53)52(38-18-6-4-7-19-38)39-20-8-5-9-21-39/h4-32H,1-3H3
InChIKeyYPVGTOKVEFYALS-UHFFFAOYSA-N
XLogP12.97
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.87
LogP ≤ 512.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]-3-methylphenyl]-N,N-diphenylcarbazol-3-amine 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

9-[4-(2,6-diphenylpyrimidin-4-yl)-3-methylphenyl]-N,N-diphenylcarbazol-3-amine
CID 126730673
9-[4-(2,6-diphenylpyrimidin-4-yl)-3-methylphenyl]-N,N-bis(4-methylphenyl)carbazol-3-amine
CID 126730689
9-[4-(2,6-diphenylpyrimidin-4-yl)-3-methylphenyl]-6-N,6-N-bis(4-methylphenyl)-3-N,3-N-diphenylcarbazole-3,6-diamine
CID 126730276
9-[4-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]-2,5-dimethylphenyl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[4-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]phenyl]phenyl]-3-N,6-N-bis(4-methylphenyl)-3-N,6-N-diphenylcarbazole-3,6-diamine;9-[4-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]phenyl]phenyl]-6-N,6-N-bis(4-methylphenyl)-3-N,3-N-diphenylcarbazole-3,6-diamine
CID 157367061
9-[4-[4-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]-3,5-dimethylphenyl]phenyl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 126730580
9-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]-3,5-dimethylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[4-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]-2-methylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[4-(2,6-diphenylpyrimidin-4-yl)-3-methylphenyl]-3-N,6-N-bis(4-methylphenyl)-3-N,6-N-diphenylcarbazole-3,6-diamine
CID 158268332
9-[4-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]phenyl]phenyl]-3-N,6-N-bis(4-methylphenyl)-3-N,6-N-diphenylcarbazole-3,6-diamine
CID 126730253
9-[4-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]-3-methylphenyl]phenyl]-3-carbazol-9-ylcarbazole
CID 126730465
9-[4-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]-3-methylphenyl]phenyl]-3,6-di(carbazol-9-yl)carbazole
CID 126729987
9-[4-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]phenyl]-2,6-dimethylphenyl]-N,N-diphenylcarbazol-3-amine
CID 126730668
9-[4-[4-(2,6-diphenylpyrimidin-4-yl)-2,5-dimethylphenyl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 126730642
9-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)-3-methylphenyl]phenyl]phenyl]-6-N,6-N-bis(4-methylphenyl)-3-N,3-N-diphenylcarbazole-3,6-diamine
CID 126730144

Frequently Asked Questions

What is the IUPAC name of 9-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]-3-methylphenyl]-N,N-diphenylcarbazol-3-amine?
The IUPAC name of 9-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]-3-methylphenyl]-N,N-diphenylcarbazol-3-amine (CID 126730685) is 9-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]-3-methylphenyl]-N,N-diphenylcarbazol-3-amine.
What is the SMILES notation for 9-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]-3-methylphenyl]-N,N-diphenylcarbazol-3-amine?
The canonical SMILES for 9-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]-3-methylphenyl]-N,N-diphenylcarbazol-3-amine is Cc1cccc(-c2cc(-c3ccc(-n4c5ccccc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)cc3C)nc(-c3cccc(C)c3)n2)c1.
What is the InChIKey of 9-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]-3-methylphenyl]-N,N-diphenylcarbazol-3-amine?
The InChIKey is YPVGTOKVEFYALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H38N4/c1-33-14-12-16-36(28-33)45-32-46(51-49(50-45)37-17-13-15-34(2)29-37)42-26-24-40(30-35(42)3)53-47-23-11-10-22-43(47)44-31-41(25-27-48(44)53)52(38-18-6-4-7-19-38)39-20-8-5-9-21-39/h4-32H,1-3H3.
What are the key properties of 9-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]-3-methylphenyl]-N,N-diphenylcarbazol-3-amine?
9-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]-3-methylphenyl]-N,N-diphenylcarbazol-3-amine has a molecular weight of 682.87 g/mol, XLogP of 12.97, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]-3-methylphenyl]-N,N-diphenylcarbazol-3-amine is sourced from PubChem (CID 126730685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).