9-[1-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-1,3,3-trimethyl-2H-inden-5-yl]-3,6-diphenylcarbazole

C66H50N2 — CID 146434172

IUPAC9-[1-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-1,3,3-trimethyl-2H-inden-5-yl]-3,6-diphenylcarbazole
SMILESCC1(C)CC(C)(c2cccc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c2)c2ccc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cc21
InChIInChI=1S/C66H50N2/c1-65(2)43-66(3,52-25-16-26-53(41-52)67-61-33-27-48(44-17-8-4-9-18-44)37-55(61)56-38-49(28-34-62(56)67)45-19-10-5-11-20-45)59-32-31-54(42-60(59)65)68-63-35-29-50(46-21-12-6-13-22-46)39-57(63)58-40-51(30-36-64(58)68)47-23-14-7-15-24-47/h4-42H,43H2,1-3H3
InChIKeyBPRVPCXOUFTYSQ-UHFFFAOYSA-N
MW871.14 g/mol
LogP17.54
Rot. Bonds7

About 9-[1-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-1,3,3-trimethyl-2H-inden-5-yl]-3,6-diphenylcarbazole

9-[1-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-1,3,3-trimethyl-2H-inden-5-yl]-3,6-diphenylcarbazole (PubChem CID 146434172) has the molecular formula C66H50N2 and a molecular weight of 871.14 g/mol. Its IUPAC name is 9-[1-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-1,3,3-trimethyl-2H-inden-5-yl]-3,6-diphenylcarbazole.

Molecular Properties

Compound Name9-[1-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-1,3,3-trimethyl-2H-inden-5-yl]-3,6-diphenylcarbazole
PubChem CID146434172
Molecular FormulaC66H50N2
Molecular Weight871.14 g/mol
Exact Mass870.40
IUPAC Name9-[1-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-1,3,3-trimethyl-2H-inden-5-yl]-3,6-diphenylcarbazole
SMILESCC1(C)CC(C)(c2cccc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c2)c2ccc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cc21
InChIInChI=1S/C66H50N2/c1-65(2)43-66(3,52-25-16-26-53(41-52)67-61-33-27-48(44-17-8-4-9-18-44)37-55(61)56-38-49(28-34-62(56)67)45-19-10-5-11-20-45)59-32-31-54(42-60(59)65)68-63-35-29-50(46-21-12-6-13-22-46)39-57(63)58-40-51(30-36-64(58)68)47-23-14-7-15-24-47/h4-42H,43H2,1-3H3
InChIKeyBPRVPCXOUFTYSQ-UHFFFAOYSA-N
XLogP17.54
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500871.14
LogP ≤ 517.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-[1-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-1,3,3-trimethyl-2H-inden-5-yl]-3,6-diphenylcarbazole 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

3,6-bis(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazole
CID 170001752
9-(9,9-dimethyl-7-phenylfluoren-2-yl)-3,6-diphenylcarbazole
CID 118475086
9-[3-(3,5-diphenylphenyl)phenyl]-3,6-diphenylcarbazole
CID 166509860
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-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161279377
3-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158435002
3-(4-carbazol-9-ylphenyl)-9-(3-phenylphenyl)carbazole;3-(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;3-(4-carbazol-9-ylphenyl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 159533505
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161418420
9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 118014168
3-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)carbazole;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-(3-phenylphenyl)-3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 160802199
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-[3-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590474

Frequently Asked Questions

What is the IUPAC name of 9-[1-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-1,3,3-trimethyl-2H-inden-5-yl]-3,6-diphenylcarbazole?
The IUPAC name of 9-[1-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-1,3,3-trimethyl-2H-inden-5-yl]-3,6-diphenylcarbazole (CID 146434172) is 9-[1-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-1,3,3-trimethyl-2H-inden-5-yl]-3,6-diphenylcarbazole.
What is the SMILES notation for 9-[1-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-1,3,3-trimethyl-2H-inden-5-yl]-3,6-diphenylcarbazole?
The canonical SMILES for 9-[1-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-1,3,3-trimethyl-2H-inden-5-yl]-3,6-diphenylcarbazole is CC1(C)CC(C)(c2cccc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c2)c2ccc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cc21.
What is the InChIKey of 9-[1-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-1,3,3-trimethyl-2H-inden-5-yl]-3,6-diphenylcarbazole?
The InChIKey is BPRVPCXOUFTYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H50N2/c1-65(2)43-66(3,52-25-16-26-53(41-52)67-61-33-27-48(44-17-8-4-9-18-44)37-55(61)56-38-49(28-34-62(56)67)45-19-10-5-11-20-45)59-32-31-54(42-60(59)65)68-63-35-29-50(46-21-12-6-13-22-46)39-57(63)58-40-51(30-36-64(58)68)47-23-14-7-15-24-47/h4-42H,43H2,1-3H3.
What are the key properties of 9-[1-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-1,3,3-trimethyl-2H-inden-5-yl]-3,6-diphenylcarbazole?
9-[1-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-1,3,3-trimethyl-2H-inden-5-yl]-3,6-diphenylcarbazole has a molecular weight of 871.14 g/mol, XLogP of 17.54, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-1,3,3-trimethyl-2H-inden-5-yl]-3,6-diphenylcarbazole is sourced from PubChem (CID 146434172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).