9-[9-[4-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazol-3-yl]-3,6-dimethylcarbazole

C56H42N4 — CID 126730480

IUPAC9-[9-[4-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazol-3-yl]-3,6-dimethylcarbazole
SMILESCc1cccc(-c2cc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc(-n7c8ccc(C)cc8c8cc(C)ccc87)ccc65)cc4)cc3)nc(-c3cccc(C)c3)n2)c1
InChIInChI=1S/C56H42N4/c1-35-9-7-11-42(29-35)51-34-50(57-56(58-51)43-12-8-10-36(2)30-43)41-19-17-39(18-20-41)40-21-23-44(24-22-40)59-52-14-6-5-13-46(52)49-33-45(25-28-55(49)59)60-53-26-15-37(3)31-47(53)48-32-38(4)16-27-54(48)60/h5-34H,1-4H3
InChIKeyGAVJSJCDTVFKDN-UHFFFAOYSA-N
MW770.98 g/mol
LogP14.57
Rot. Bonds6

About 9-[9-[4-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazol-3-yl]-3,6-dimethylcarbazole

9-[9-[4-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazol-3-yl]-3,6-dimethylcarbazole (PubChem CID 126730480) has the molecular formula C56H42N4 and a molecular weight of 770.98 g/mol. Its IUPAC name is 9-[9-[4-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazol-3-yl]-3,6-dimethylcarbazole.

Molecular Properties

Compound Name9-[9-[4-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazol-3-yl]-3,6-dimethylcarbazole
PubChem CID126730480
Molecular FormulaC56H42N4
Molecular Weight770.98 g/mol
Exact Mass770.34
IUPAC Name9-[9-[4-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazol-3-yl]-3,6-dimethylcarbazole
SMILESCc1cccc(-c2cc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc(-n7c8ccc(C)cc8c8cc(C)ccc87)ccc65)cc4)cc3)nc(-c3cccc(C)c3)n2)c1
InChIInChI=1S/C56H42N4/c1-35-9-7-11-42(29-35)51-34-50(57-56(58-51)43-12-8-10-36(2)30-43)41-19-17-39(18-20-41)40-21-23-44(24-22-40)59-52-14-6-5-13-46(52)49-33-45(25-28-55(49)59)60-53-26-15-37(3)31-47(53)48-32-38(4)16-27-54(48)60/h5-34H,1-4H3
InChIKeyGAVJSJCDTVFKDN-UHFFFAOYSA-N
XLogP14.57
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.98
LogP ≤ 514.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[9-[4-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazol-3-yl]-3,6-dimethylcarbazole 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-carbazol-9-yl-9-[4-[4-[2-(3-methylphenyl)-6-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole
CID 126730445
3,6-di(carbazol-9-yl)-9-[4-[2-(3-methylphenyl)-6-phenylpyrimidin-4-yl]phenyl]carbazole
CID 126730061
3-carbazol-9-yl-6-(3,6-dimethylcarbazol-9-yl)-9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 126730006
9-[4-[4-[4-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-3,6-bis(3-methylcarbazol-9-yl)carbazole
CID 126730044
9-[4-[4-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]phenyl]-3,5-dimethylphenyl]phenyl]-3-carbazol-9-ylcarbazole
CID 126730359
9-[4-[4-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]phenyl]phenyl]-2,6-dimethylphenyl]-3,6-di(carbazol-9-yl)carbazole
CID 126730037
3-carbazol-9-yl-9-[4-[4-[2-(2-methylphenyl)-6-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole;3-carbazol-9-yl-9-[4-[4-[2-(3-methylphenyl)-6-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole;3-carbazol-9-yl-9-[4-[4-[2-(4-methylphenyl)-6-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole
CID 158213492
3-carbazol-9-yl-9-[4-[2-(2-methylphenyl)-6-phenylpyrimidin-4-yl]phenyl]carbazole;3-carbazol-9-yl-9-[4-[2-(3-methylphenyl)-6-phenylpyrimidin-4-yl]phenyl]carbazole;3-carbazol-9-yl-9-[4-[2-(4-methylphenyl)-6-phenylpyrimidin-4-yl]phenyl]carbazole;9-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-3,6-dimethylcarbazole
CID 161152563
9-[4-[4-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]phenyl]phenyl]-2-methylphenyl]-3,6-di(carbazol-9-yl)carbazole
CID 126729947
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]-2,6-dimethylphenyl]phenyl]-3,6-di(carbazol-9-yl)carbazole
CID 126729988

Frequently Asked Questions

What is the IUPAC name of 9-[9-[4-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazol-3-yl]-3,6-dimethylcarbazole?
The IUPAC name of 9-[9-[4-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazol-3-yl]-3,6-dimethylcarbazole (CID 126730480) is 9-[9-[4-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazol-3-yl]-3,6-dimethylcarbazole.
What is the SMILES notation for 9-[9-[4-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazol-3-yl]-3,6-dimethylcarbazole?
The canonical SMILES for 9-[9-[4-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazol-3-yl]-3,6-dimethylcarbazole is Cc1cccc(-c2cc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc(-n7c8ccc(C)cc8c8cc(C)ccc87)ccc65)cc4)cc3)nc(-c3cccc(C)c3)n2)c1.
What is the InChIKey of 9-[9-[4-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazol-3-yl]-3,6-dimethylcarbazole?
The InChIKey is GAVJSJCDTVFKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H42N4/c1-35-9-7-11-42(29-35)51-34-50(57-56(58-51)43-12-8-10-36(2)30-43)41-19-17-39(18-20-41)40-21-23-44(24-22-40)59-52-14-6-5-13-46(52)49-33-45(25-28-55(49)59)60-53-26-15-37(3)31-47(53)48-32-38(4)16-27-54(48)60/h5-34H,1-4H3.
What are the key properties of 9-[9-[4-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazol-3-yl]-3,6-dimethylcarbazole?
9-[9-[4-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazol-3-yl]-3,6-dimethylcarbazole has a molecular weight of 770.98 g/mol, XLogP of 14.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-[4-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazol-3-yl]-3,6-dimethylcarbazole is sourced from PubChem (CID 126730480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).