9-[4-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]-2,5-dimethylphenyl]phenyl]-N,N-diphenylcarbazol-3-amine

C62H48N4 — CID 126730586

IUPAC9-[4-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]-2,5-dimethylphenyl]phenyl]-N,N-diphenylcarbazol-3-amine
SMILESCc1cc(-c2ccc(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)cc2)c(C)cc1-c1ccc(-c2cc(-c3ccccc3C)nc(-c3ccccc3C)n2)cc1
InChIInChI=1S/C62H48N4/c1-41-17-11-13-23-52(41)59-40-58(63-62(64-59)53-24-14-12-18-42(53)2)47-29-27-45(28-30-47)55-37-44(4)56(38-43(55)3)46-31-33-50(34-32-46)66-60-26-16-15-25-54(60)57-39-51(35-36-61(57)66)65(48-19-7-5-8-20-48)49-21-9-6-10-22-49/h5-40H,1-4H3
InChIKeyXZCZPKYXNVPZGY-UHFFFAOYSA-N
MW849.09 g/mol
LogP16.61
Rot. Bonds9

About 9-[4-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]-2,5-dimethylphenyl]phenyl]-N,N-diphenylcarbazol-3-amine

9-[4-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]-2,5-dimethylphenyl]phenyl]-N,N-diphenylcarbazol-3-amine (PubChem CID 126730586) has the molecular formula C62H48N4 and a molecular weight of 849.09 g/mol. Its IUPAC name is 9-[4-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]-2,5-dimethylphenyl]phenyl]-N,N-diphenylcarbazol-3-amine.

Molecular Properties

Compound Name9-[4-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]-2,5-dimethylphenyl]phenyl]-N,N-diphenylcarbazol-3-amine
PubChem CID126730586
Molecular FormulaC62H48N4
Molecular Weight849.09 g/mol
Exact Mass848.39
IUPAC Name9-[4-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]-2,5-dimethylphenyl]phenyl]-N,N-diphenylcarbazol-3-amine
SMILESCc1cc(-c2ccc(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)cc2)c(C)cc1-c1ccc(-c2cc(-c3ccccc3C)nc(-c3ccccc3C)n2)cc1
InChIInChI=1S/C62H48N4/c1-41-17-11-13-23-52(41)59-40-58(63-62(64-59)53-24-14-12-18-42(53)2)47-29-27-45(28-30-47)55-37-44(4)56(38-43(55)3)46-31-33-50(34-32-46)66-60-26-16-15-25-54(60)57-39-51(35-36-61(57)66)65(48-19-7-5-8-20-48)49-21-9-6-10-22-49/h5-40H,1-4H3
InChIKeyXZCZPKYXNVPZGY-UHFFFAOYSA-N
XLogP16.61
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500849.09
LogP ≤ 516.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[4-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]-2,5-dimethylphenyl]phenyl]-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-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]-3-methylphenyl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 126730654
9-[4-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-N,N-bis(4-methylphenyl)carbazol-3-amine
CID 126730583
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-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]-3,5-dimethylphenyl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 126730617
9-[4-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]-2-methylphenyl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)-2-methylphenyl]phenyl]phenyl]-6-N,6-N-bis(4-methylphenyl)-3-N,3-N-diphenylcarbazole-3,6-diamine;9-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-methylphenyl]phenyl]-6-N,6-N-bis(4-methylphenyl)-3-N,3-N-diphenylcarbazole-3,6-diamine
CID 162219432
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-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]phenyl]-2,6-dimethylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 126730169
9-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]-3-methylphenyl]-3-carbazol-9-ylcarbazole
CID 126730446
3-carbazol-9-yl-9-[4-[2-(2-methylphenyl)-6-phenylpyrimidin-4-yl]phenyl]carbazole
CID 126730487
2-[4-[2,6-bis(2-cyanophenyl)pyrimidin-4-yl]phenyl]-5-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]benzene-1,4-dicarbonitrile
CID 126734493
9-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]-2-methylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 126730264

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]-2,5-dimethylphenyl]phenyl]-N,N-diphenylcarbazol-3-amine?
The IUPAC name of 9-[4-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]-2,5-dimethylphenyl]phenyl]-N,N-diphenylcarbazol-3-amine (CID 126730586) is 9-[4-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]-2,5-dimethylphenyl]phenyl]-N,N-diphenylcarbazol-3-amine.
What is the SMILES notation for 9-[4-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]-2,5-dimethylphenyl]phenyl]-N,N-diphenylcarbazol-3-amine?
The canonical SMILES for 9-[4-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]-2,5-dimethylphenyl]phenyl]-N,N-diphenylcarbazol-3-amine is Cc1cc(-c2ccc(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)cc2)c(C)cc1-c1ccc(-c2cc(-c3ccccc3C)nc(-c3ccccc3C)n2)cc1.
What is the InChIKey of 9-[4-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]-2,5-dimethylphenyl]phenyl]-N,N-diphenylcarbazol-3-amine?
The InChIKey is XZCZPKYXNVPZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H48N4/c1-41-17-11-13-23-52(41)59-40-58(63-62(64-59)53-24-14-12-18-42(53)2)47-29-27-45(28-30-47)55-37-44(4)56(38-43(55)3)46-31-33-50(34-32-46)66-60-26-16-15-25-54(60)57-39-51(35-36-61(57)66)65(48-19-7-5-8-20-48)49-21-9-6-10-22-49/h5-40H,1-4H3.
What are the key properties of 9-[4-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]-2,5-dimethylphenyl]phenyl]-N,N-diphenylcarbazol-3-amine?
9-[4-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]-2,5-dimethylphenyl]phenyl]-N,N-diphenylcarbazol-3-amine has a molecular weight of 849.09 g/mol, XLogP of 16.61, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]-2,5-dimethylphenyl]phenyl]-N,N-diphenylcarbazol-3-amine is sourced from PubChem (CID 126730586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).