3-[1,2-bis[4-(4-phenylphenyl)phenyl]indol-3-yl]-1,2-diphenylindole

C64H44N2 — CID 129085579

IUPAC3-[1,2-bis[4-(4-phenylphenyl)phenyl]indol-3-yl]-1,2-diphenylindole
SMILESc1ccc(-c2ccc(-c3ccc(-c4c(-c5c(-c6ccccc6)n(-c6ccccc6)c6ccccc56)c5ccccc5n4-c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C64H44N2/c1-5-17-45(18-6-1)47-29-33-49(34-30-47)51-37-39-54(40-38-51)64-62(61-57-25-13-15-27-59(57)65(55-23-11-4-12-24-55)63(61)53-21-9-3-10-22-53)58-26-14-16-28-60(58)66(64)56-43-41-52(42-44-56)50-35-31-48(32-36-50)46-19-7-2-8-20-46/h1-44H
InChIKeyPHHAMWMLXYIIML-UHFFFAOYSA-N
MW841.07 g/mol
LogP17.24
Rot. Bonds9

About 3-[1,2-bis[4-(4-phenylphenyl)phenyl]indol-3-yl]-1,2-diphenylindole

3-[1,2-bis[4-(4-phenylphenyl)phenyl]indol-3-yl]-1,2-diphenylindole (PubChem CID 129085579) has the molecular formula C64H44N2 and a molecular weight of 841.07 g/mol. Its IUPAC name is 3-[1,2-bis[4-(4-phenylphenyl)phenyl]indol-3-yl]-1,2-diphenylindole.

Molecular Properties

Compound Name3-[1,2-bis[4-(4-phenylphenyl)phenyl]indol-3-yl]-1,2-diphenylindole
PubChem CID129085579
Molecular FormulaC64H44N2
Molecular Weight841.07 g/mol
Exact Mass840.35
IUPAC Name3-[1,2-bis[4-(4-phenylphenyl)phenyl]indol-3-yl]-1,2-diphenylindole
SMILESc1ccc(-c2ccc(-c3ccc(-c4c(-c5c(-c6ccccc6)n(-c6ccccc6)c6ccccc56)c5ccccc5n4-c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C64H44N2/c1-5-17-45(18-6-1)47-29-33-49(34-30-47)51-37-39-54(40-38-51)64-62(61-57-25-13-15-27-59(57)65(55-23-11-4-12-24-55)63(61)53-21-9-3-10-22-53)58-26-14-16-28-60(58)66(64)56-43-41-52(42-44-56)50-35-31-48(32-36-50)46-19-7-2-8-20-46/h1-44H
InChIKeyPHHAMWMLXYIIML-UHFFFAOYSA-N
XLogP17.24
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500841.07
LogP ≤ 517.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[1,2-bis[4-(4-phenylphenyl)phenyl]indol-3-yl]-1,2-diphenylindole 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

1-[12-(2,3-diphenylindol-1-yl)chrysen-6-yl]-2,3-diphenylindole;1-[4-[4-(2,3-diphenylindol-1-yl)phenyl]phenyl]-2,3-diphenylindole
CID 162026285
9-[4-[4-[1-[4-(4-carbazol-9-ylphenyl)phenyl]-2,3,6,7-tetraphenylpyrrolo[3,2-g]indol-8-yl]phenyl]phenyl]carbazole
CID 155097260
2-(9,9-dimethylfluoren-2-yl)-3-(1,2-diphenylindol-3-yl)-1-[4-(4-phenylphenyl)phenyl]indole
CID 129085606
5-phenyl-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 142356573
11-phenyl-12-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 118501913
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 135323607
9-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041201
[4-(2,3-diphenylindol-1-yl)phenyl]boronic acid
CID 68817582
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
2-(9-phenylcarbazol-2-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 142356248
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312

Frequently Asked Questions

What is the IUPAC name of 3-[1,2-bis[4-(4-phenylphenyl)phenyl]indol-3-yl]-1,2-diphenylindole?
The IUPAC name of 3-[1,2-bis[4-(4-phenylphenyl)phenyl]indol-3-yl]-1,2-diphenylindole (CID 129085579) is 3-[1,2-bis[4-(4-phenylphenyl)phenyl]indol-3-yl]-1,2-diphenylindole.
What is the SMILES notation for 3-[1,2-bis[4-(4-phenylphenyl)phenyl]indol-3-yl]-1,2-diphenylindole?
The canonical SMILES for 3-[1,2-bis[4-(4-phenylphenyl)phenyl]indol-3-yl]-1,2-diphenylindole is c1ccc(-c2ccc(-c3ccc(-c4c(-c5c(-c6ccccc6)n(-c6ccccc6)c6ccccc56)c5ccccc5n4-c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 3-[1,2-bis[4-(4-phenylphenyl)phenyl]indol-3-yl]-1,2-diphenylindole?
The InChIKey is PHHAMWMLXYIIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44N2/c1-5-17-45(18-6-1)47-29-33-49(34-30-47)51-37-39-54(40-38-51)64-62(61-57-25-13-15-27-59(57)65(55-23-11-4-12-24-55)63(61)53-21-9-3-10-22-53)58-26-14-16-28-60(58)66(64)56-43-41-52(42-44-56)50-35-31-48(32-36-50)46-19-7-2-8-20-46/h1-44H.
What are the key properties of 3-[1,2-bis[4-(4-phenylphenyl)phenyl]indol-3-yl]-1,2-diphenylindole?
3-[1,2-bis[4-(4-phenylphenyl)phenyl]indol-3-yl]-1,2-diphenylindole has a molecular weight of 841.07 g/mol, XLogP of 17.24, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1,2-bis[4-(4-phenylphenyl)phenyl]indol-3-yl]-1,2-diphenylindole is sourced from PubChem (CID 129085579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).