3,6-bis[3,5-bis(3,5-dimethylphenyl)phenyl]-9-phenylcarbazole

C62H53N — CID 170283637

IUPAC3,6-bis[3,5-bis(3,5-dimethylphenyl)phenyl]-9-phenylcarbazole
SMILESCc1cc(C)cc(-c2cc(-c3cc(C)cc(C)c3)cc(-c3ccc4c(c3)c3cc(-c5cc(-c6cc(C)cc(C)c6)cc(-c6cc(C)cc(C)c6)c5)ccc3n4-c3ccccc3)c2)c1
InChIInChI=1S/C62H53N/c1-38-18-39(2)23-48(22-38)54-30-52(31-55(34-54)49-24-40(3)19-41(4)25-49)46-14-16-61-59(36-46)60-37-47(15-17-62(60)63(61)58-12-10-9-11-13-58)53-32-56(50-26-42(5)20-43(6)27-50)35-57(33-53)51-28-44(7)21-45(8)29-51/h9-37H,1-8H3
InChIKeyXNYUSAYVBLTIOL-UHFFFAOYSA-N
MW812.11 g/mol
LogP17.25
Rot. Bonds7

About 3,6-bis[3,5-bis(3,5-dimethylphenyl)phenyl]-9-phenylcarbazole

3,6-bis[3,5-bis(3,5-dimethylphenyl)phenyl]-9-phenylcarbazole (PubChem CID 170283637) has the molecular formula C62H53N and a molecular weight of 812.11 g/mol. Its IUPAC name is 3,6-bis[3,5-bis(3,5-dimethylphenyl)phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name3,6-bis[3,5-bis(3,5-dimethylphenyl)phenyl]-9-phenylcarbazole
PubChem CID170283637
Molecular FormulaC62H53N
Molecular Weight812.11 g/mol
Exact Mass811.42
IUPAC Name3,6-bis[3,5-bis(3,5-dimethylphenyl)phenyl]-9-phenylcarbazole
SMILESCc1cc(C)cc(-c2cc(-c3cc(C)cc(C)c3)cc(-c3ccc4c(c3)c3cc(-c5cc(-c6cc(C)cc(C)c6)cc(-c6cc(C)cc(C)c6)c5)ccc3n4-c3ccccc3)c2)c1
InChIInChI=1S/C62H53N/c1-38-18-39(2)23-48(22-38)54-30-52(31-55(34-54)49-24-40(3)19-41(4)25-49)46-14-16-61-59(36-46)60-37-47(15-17-62(60)63(61)58-12-10-9-11-13-58)53-32-56(50-26-42(5)20-43(6)27-50)35-57(33-53)51-28-44(7)21-45(8)29-51/h9-37H,1-8H3
InChIKeyXNYUSAYVBLTIOL-UHFFFAOYSA-N
XLogP17.25
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500812.11
LogP ≤ 517.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,6-bis[3,5-bis(3,5-dimethylphenyl)phenyl]-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

3-(3-methyl-5-phenylphenyl)-9-phenylcarbazole
CID 123628919
3-[9-[4-(3,5-dimethylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 134370671
9-[4-(3,5-dimethylphenyl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[4-(3,5-dimethylphenyl)phenyl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[4-[4-(3,5-dimethylphenyl)phenyl]phenyl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 162173783
3-[9-[3-[4-(3,5-dimethylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 134370607
3-(4-methylphenyl)-6,9-diphenylcarbazole
CID 90290564
3-[9-[4-(3-methyl-5-phenylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-methyl-9-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole
CID 157292241
3-[9-(4-carbazol-9-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;3-[9-(4-carbazol-9-ylphenyl)carbazol-2-yl]-9-(4-phenylphenyl)carbazole;3-[9-(3,5-dimethylphenyl)carbazol-2-yl]-9-[4-(3,5-dimethylphenyl)phenyl]carbazole;2-[9-[4-(3,5-dimethylphenyl)phenyl]carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole
CID 159256804
9-phenyl-3-(3-phenylphenyl)-6-[4-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 129054646
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158399670
3-[9-[3-(3,5-diphenylphenyl)-5-methylphenyl]carbazol-2-yl]-9-phenylcarbazole
CID 144560195
3-[9-(4-carbazol-9-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;3-[9-(4-carbazol-9-ylphenyl)carbazol-2-yl]-9-(4-phenylphenyl)carbazole;2-[9-[4-(3,5-dimethylphenyl)phenyl]carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(3-phenylphenyl)carbazole
CID 159224572
3,9-diphenyl-6-[3-(9-phenylcarbazol-3-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492191

Frequently Asked Questions

What is the IUPAC name of 3,6-bis[3,5-bis(3,5-dimethylphenyl)phenyl]-9-phenylcarbazole?
The IUPAC name of 3,6-bis[3,5-bis(3,5-dimethylphenyl)phenyl]-9-phenylcarbazole (CID 170283637) is 3,6-bis[3,5-bis(3,5-dimethylphenyl)phenyl]-9-phenylcarbazole.
What is the SMILES notation for 3,6-bis[3,5-bis(3,5-dimethylphenyl)phenyl]-9-phenylcarbazole?
The canonical SMILES for 3,6-bis[3,5-bis(3,5-dimethylphenyl)phenyl]-9-phenylcarbazole is Cc1cc(C)cc(-c2cc(-c3cc(C)cc(C)c3)cc(-c3ccc4c(c3)c3cc(-c5cc(-c6cc(C)cc(C)c6)cc(-c6cc(C)cc(C)c6)c5)ccc3n4-c3ccccc3)c2)c1.
What is the InChIKey of 3,6-bis[3,5-bis(3,5-dimethylphenyl)phenyl]-9-phenylcarbazole?
The InChIKey is XNYUSAYVBLTIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H53N/c1-38-18-39(2)23-48(22-38)54-30-52(31-55(34-54)49-24-40(3)19-41(4)25-49)46-14-16-61-59(36-46)60-37-47(15-17-62(60)63(61)58-12-10-9-11-13-58)53-32-56(50-26-42(5)20-43(6)27-50)35-57(33-53)51-28-44(7)21-45(8)29-51/h9-37H,1-8H3.
What are the key properties of 3,6-bis[3,5-bis(3,5-dimethylphenyl)phenyl]-9-phenylcarbazole?
3,6-bis[3,5-bis(3,5-dimethylphenyl)phenyl]-9-phenylcarbazole has a molecular weight of 812.11 g/mol, XLogP of 17.25, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis[3,5-bis(3,5-dimethylphenyl)phenyl]-9-phenylcarbazole is sourced from PubChem (CID 170283637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).