4-(2,3-diphenyl-1H-benzo[g]indol-5-yl)-N,N-bis[4-(2,3-diphenyl-1H-benzo[g]indol-5-yl)phenyl]aniline

C90H60N4 — CID 58161407

IUPAC4-(2,3-diphenyl-1H-benzo[g]indol-5-yl)-N,N-bis[4-(2,3-diphenyl-1H-benzo[g]indol-5-yl)phenyl]aniline
SMILESc1ccc(-c2[nH]c3c(cc(-c4ccc(N(c5ccc(-c6cc7c(-c8ccccc8)c(-c8ccccc8)[nH]c7c7ccccc67)cc5)c5ccc(-c6cc7c(-c8ccccc8)c(-c8ccccc8)[nH]c7c7ccccc67)cc5)cc4)c4ccccc43)c2-c2ccccc2)cc1
InChIInChI=1S/C90H60N4/c1-7-25-61(26-8-1)82-79-55-76(70-37-19-22-40-73(70)88(79)91-85(82)64-31-13-4-14-32-64)58-43-49-67(50-44-58)94(68-51-45-59(46-52-68)77-56-80-83(62-27-9-2-10-28-62)86(65-33-15-5-16-34-65)92-89(80)74-41-23-20-38-71(74)77)69-53-47-60(48-54-69)78-57-81-84(63-29-11-3-12-30-63)87(66-35-17-6-18-36-66)93-90(81)75-42-24-21-39-72(75)78/h1-57,91-93H
InChIKeyKSRUBEIMANWPEV-UHFFFAOYSA-N
MW1197.50 g/mol
LogP25.06
Rot. Bonds12

About 4-(2,3-diphenyl-1H-benzo[g]indol-5-yl)-N,N-bis[4-(2,3-diphenyl-1H-benzo[g]indol-5-yl)phenyl]aniline

4-(2,3-diphenyl-1H-benzo[g]indol-5-yl)-N,N-bis[4-(2,3-diphenyl-1H-benzo[g]indol-5-yl)phenyl]aniline (PubChem CID 58161407) has the molecular formula C90H60N4 and a molecular weight of 1197.50 g/mol. Its IUPAC name is 4-(2,3-diphenyl-1H-benzo[g]indol-5-yl)-N,N-bis[4-(2,3-diphenyl-1H-benzo[g]indol-5-yl)phenyl]aniline.

Molecular Properties

Compound Name4-(2,3-diphenyl-1H-benzo[g]indol-5-yl)-N,N-bis[4-(2,3-diphenyl-1H-benzo[g]indol-5-yl)phenyl]aniline
PubChem CID58161407
Molecular FormulaC90H60N4
Molecular Weight1197.50 g/mol
Exact Mass1196.48
IUPAC Name4-(2,3-diphenyl-1H-benzo[g]indol-5-yl)-N,N-bis[4-(2,3-diphenyl-1H-benzo[g]indol-5-yl)phenyl]aniline
SMILESc1ccc(-c2[nH]c3c(cc(-c4ccc(N(c5ccc(-c6cc7c(-c8ccccc8)c(-c8ccccc8)[nH]c7c7ccccc67)cc5)c5ccc(-c6cc7c(-c8ccccc8)c(-c8ccccc8)[nH]c7c7ccccc67)cc5)cc4)c4ccccc43)c2-c2ccccc2)cc1
InChIInChI=1S/C90H60N4/c1-7-25-61(26-8-1)82-79-55-76(70-37-19-22-40-73(70)88(79)91-85(82)64-31-13-4-14-32-64)58-43-49-67(50-44-58)94(68-51-45-59(46-52-68)77-56-80-83(62-27-9-2-10-28-62)86(65-33-15-5-16-34-65)92-89(80)74-41-23-20-38-71(74)77)69-53-47-60(48-54-69)78-57-81-84(63-29-11-3-12-30-63)87(66-35-17-6-18-36-66)93-90(81)75-42-24-21-39-72(75)78/h1-57,91-93H
InChIKeyKSRUBEIMANWPEV-UHFFFAOYSA-N
XLogP25.06
TPSA50.61 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001197.50
LogP ≤ 525.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Analyze 4-(2,3-diphenyl-1H-benzo[g]indol-5-yl)-N,N-bis[4-(2,3-diphenyl-1H-benzo[g]indol-5-yl)phenyl]aniline 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-N-phenyl-1-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 59221806
N-phenyl-4-(3-phenylnaphthalen-1-yl)-N-[4-(2,4,6-triphenylphenyl)phenyl]aniline
CID 156808683
4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146665483
3-(10-phenylphenanthren-9-yl)-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 134453682
1-N,1-N,4-N-tris(4-phenylphenyl)-4-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]benzene-1,4-diamine
CID 89266505
4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]aniline;4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 159709491
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 58876469
1-N-phenyl-1-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-N,4-N-bis(3-phenylphenyl)benzene-1,4-diamine
CID 59221815
4-[10-[10-(3,4-diphenylphenyl)anthracen-9-yl]anthracen-9-yl]-N,N-diphenylaniline
CID 58160974
N,4-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
CID 172526975
N-(4-benzo[c]phenanthren-5-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline
CID 167183664
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(2,4-diphenylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 169063252

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-diphenyl-1H-benzo[g]indol-5-yl)-N,N-bis[4-(2,3-diphenyl-1H-benzo[g]indol-5-yl)phenyl]aniline?
The IUPAC name of 4-(2,3-diphenyl-1H-benzo[g]indol-5-yl)-N,N-bis[4-(2,3-diphenyl-1H-benzo[g]indol-5-yl)phenyl]aniline (CID 58161407) is 4-(2,3-diphenyl-1H-benzo[g]indol-5-yl)-N,N-bis[4-(2,3-diphenyl-1H-benzo[g]indol-5-yl)phenyl]aniline.
What is the SMILES notation for 4-(2,3-diphenyl-1H-benzo[g]indol-5-yl)-N,N-bis[4-(2,3-diphenyl-1H-benzo[g]indol-5-yl)phenyl]aniline?
The canonical SMILES for 4-(2,3-diphenyl-1H-benzo[g]indol-5-yl)-N,N-bis[4-(2,3-diphenyl-1H-benzo[g]indol-5-yl)phenyl]aniline is c1ccc(-c2[nH]c3c(cc(-c4ccc(N(c5ccc(-c6cc7c(-c8ccccc8)c(-c8ccccc8)[nH]c7c7ccccc67)cc5)c5ccc(-c6cc7c(-c8ccccc8)c(-c8ccccc8)[nH]c7c7ccccc67)cc5)cc4)c4ccccc43)c2-c2ccccc2)cc1.
What is the InChIKey of 4-(2,3-diphenyl-1H-benzo[g]indol-5-yl)-N,N-bis[4-(2,3-diphenyl-1H-benzo[g]indol-5-yl)phenyl]aniline?
The InChIKey is KSRUBEIMANWPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H60N4/c1-7-25-61(26-8-1)82-79-55-76(70-37-19-22-40-73(70)88(79)91-85(82)64-31-13-4-14-32-64)58-43-49-67(50-44-58)94(68-51-45-59(46-52-68)77-56-80-83(62-27-9-2-10-28-62)86(65-33-15-5-16-34-65)92-89(80)74-41-23-20-38-71(74)77)69-53-47-60(48-54-69)78-57-81-84(63-29-11-3-12-30-63)87(66-35-17-6-18-36-66)93-90(81)75-42-24-21-39-72(75)78/h1-57,91-93H.
What are the key properties of 4-(2,3-diphenyl-1H-benzo[g]indol-5-yl)-N,N-bis[4-(2,3-diphenyl-1H-benzo[g]indol-5-yl)phenyl]aniline?
4-(2,3-diphenyl-1H-benzo[g]indol-5-yl)-N,N-bis[4-(2,3-diphenyl-1H-benzo[g]indol-5-yl)phenyl]aniline has a molecular weight of 1197.50 g/mol, XLogP of 25.06, 12 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-diphenyl-1H-benzo[g]indol-5-yl)-N,N-bis[4-(2,3-diphenyl-1H-benzo[g]indol-5-yl)phenyl]aniline is sourced from PubChem (CID 58161407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).