2-[9-[4-[4-[3-(3,4-diphenylphenyl)phenyl]pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole

C64H42N4 — CID 118029035

IUPAC2-[9-[4-[4-[3-(3,4-diphenylphenyl)phenyl]pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole
SMILESc1ccc(-c2ccc(-c3cccc(-c4ccnc(-c5ccc(-n6c7ccccc7c7cc(-c8ccc9c%10ccccc%10n(-c%10ccccc%10)c9c8)ccc76)cc5)n4)c3)cc2-c2ccccc2)cc1
InChIInChI=1S/C64H42N4/c1-4-15-43(16-5-1)53-34-29-47(40-57(53)44-17-6-2-7-18-44)46-19-14-20-50(39-46)59-37-38-65-64(66-59)45-27-32-52(33-28-45)67-61-26-13-11-24-55(61)58-41-48(31-36-62(58)67)49-30-35-56-54-23-10-12-25-60(54)68(63(56)42-49)51-21-8-3-9-22-51/h1-42H
InChIKeyJOXKTOYFWJRHEG-UHFFFAOYSA-N
MW867.07 g/mol
LogP16.67
Rot. Bonds8

About 2-[9-[4-[4-[3-(3,4-diphenylphenyl)phenyl]pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole

2-[9-[4-[4-[3-(3,4-diphenylphenyl)phenyl]pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole (PubChem CID 118029035) has the molecular formula C64H42N4 and a molecular weight of 867.07 g/mol. Its IUPAC name is 2-[9-[4-[4-[3-(3,4-diphenylphenyl)phenyl]pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-[9-[4-[4-[3-(3,4-diphenylphenyl)phenyl]pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole
PubChem CID118029035
Molecular FormulaC64H42N4
Molecular Weight867.07 g/mol
Exact Mass866.34
IUPAC Name2-[9-[4-[4-[3-(3,4-diphenylphenyl)phenyl]pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole
SMILESc1ccc(-c2ccc(-c3cccc(-c4ccnc(-c5ccc(-n6c7ccccc7c7cc(-c8ccc9c%10ccccc%10n(-c%10ccccc%10)c9c8)ccc76)cc5)n4)c3)cc2-c2ccccc2)cc1
InChIInChI=1S/C64H42N4/c1-4-15-43(16-5-1)53-34-29-47(40-57(53)44-17-6-2-7-18-44)46-19-14-20-50(39-46)59-37-38-65-64(66-59)45-27-32-52(33-28-45)67-61-26-13-11-24-55(61)58-41-48(31-36-62(58)67)49-30-35-56-54-23-10-12-25-60(54)68(63(56)42-49)51-21-8-3-9-22-51/h1-42H
InChIKeyJOXKTOYFWJRHEG-UHFFFAOYSA-N
XLogP16.67
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500867.07
LogP ≤ 516.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[9-[4-[4-[3-(3,4-diphenylphenyl)phenyl]pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-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

2-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(4-phenylpyrimidin-2-yl)phenyl]carbazole
CID 90182893
3-[3-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(4-phenylpyrimidin-2-yl)phenyl]carbazole
CID 90182892
9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-[9-[4-[3-[6-phenyl-2-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 170096012
N,N-diphenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(4-phenylpyrimidin-2-yl)phenyl]carbazol-3-amine
CID 90182899
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 171402410
3-[9-[4-[4-(2,5-diphenylphenyl)-6-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 134236859
10-phenyl-6-[3-[6-phenyl-4-(22-phenyl-10,22-diazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16,18,20,23-undecaen-10-yl)-2-pyridinyl]phenyl]-22-(2-phenylpyrimidin-4-yl)-10,22-diazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene
CID 163754172
3,9-diphenyl-6-[9-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazol-3-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)pyrimidin-2-yl]carbazole
CID 158736028
3-[9-[4-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 134236862
3-(9-phenylcarbazol-2-yl)-9-[3-(6-triphenylen-2-yl-2-pyridinyl)phenyl]carbazole
CID 118509091
3-(9-phenylcarbazol-2-yl)-9-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
CID 118028979
3-[9-[4-[3-(3,4-diphenylphenyl)phenyl]-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 134236674

Frequently Asked Questions

What is the IUPAC name of 2-[9-[4-[4-[3-(3,4-diphenylphenyl)phenyl]pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 2-[9-[4-[4-[3-(3,4-diphenylphenyl)phenyl]pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole (CID 118029035) is 2-[9-[4-[4-[3-(3,4-diphenylphenyl)phenyl]pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 2-[9-[4-[4-[3-(3,4-diphenylphenyl)phenyl]pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 2-[9-[4-[4-[3-(3,4-diphenylphenyl)phenyl]pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole is c1ccc(-c2ccc(-c3cccc(-c4ccnc(-c5ccc(-n6c7ccccc7c7cc(-c8ccc9c%10ccccc%10n(-c%10ccccc%10)c9c8)ccc76)cc5)n4)c3)cc2-c2ccccc2)cc1.
What is the InChIKey of 2-[9-[4-[4-[3-(3,4-diphenylphenyl)phenyl]pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is JOXKTOYFWJRHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N4/c1-4-15-43(16-5-1)53-34-29-47(40-57(53)44-17-6-2-7-18-44)46-19-14-20-50(39-46)59-37-38-65-64(66-59)45-27-32-52(33-28-45)67-61-26-13-11-24-55(61)58-41-48(31-36-62(58)67)49-30-35-56-54-23-10-12-25-60(54)68(63(56)42-49)51-21-8-3-9-22-51/h1-42H.
What are the key properties of 2-[9-[4-[4-[3-(3,4-diphenylphenyl)phenyl]pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole?
2-[9-[4-[4-[3-(3,4-diphenylphenyl)phenyl]pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 867.07 g/mol, XLogP of 16.67, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[4-[4-[3-(3,4-diphenylphenyl)phenyl]pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 118029035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).