4-[2-methyl-5-[2-methyl-3-phenyl-1-[4-(N-phenylanilino)phenyl]indol-5-yl]-3-phenylindol-1-yl]-N,N-diphenylaniline

C66H50N4 — CID 59184241

IUPAC4-[2-methyl-5-[2-methyl-3-phenyl-1-[4-(N-phenylanilino)phenyl]indol-5-yl]-3-phenylindol-1-yl]-N,N-diphenylaniline
SMILESCc1c(-c2ccccc2)c2cc(-c3ccc4c(c3)c(-c3ccccc3)c(C)n4-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2n1-c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C66H50N4/c1-47-65(49-21-9-3-10-22-49)61-45-51(33-43-63(61)67(47)57-35-39-59(40-36-57)69(53-25-13-5-14-26-53)54-27-15-6-16-28-54)52-34-44-64-62(46-52)66(50-23-11-4-12-24-50)48(2)68(64)58-37-41-60(42-38-58)70(55-29-17-7-18-30-55)56-31-19-8-20-32-56/h3-46H,1-2H3
InChIKeyBKKSKGYGHQNSIB-UHFFFAOYSA-N
MW899.15 g/mol
LogP18.13
Rot. Bonds11

About 4-[2-methyl-5-[2-methyl-3-phenyl-1-[4-(N-phenylanilino)phenyl]indol-5-yl]-3-phenylindol-1-yl]-N,N-diphenylaniline

4-[2-methyl-5-[2-methyl-3-phenyl-1-[4-(N-phenylanilino)phenyl]indol-5-yl]-3-phenylindol-1-yl]-N,N-diphenylaniline (PubChem CID 59184241) has the molecular formula C66H50N4 and a molecular weight of 899.15 g/mol. Its IUPAC name is 4-[2-methyl-5-[2-methyl-3-phenyl-1-[4-(N-phenylanilino)phenyl]indol-5-yl]-3-phenylindol-1-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[2-methyl-5-[2-methyl-3-phenyl-1-[4-(N-phenylanilino)phenyl]indol-5-yl]-3-phenylindol-1-yl]-N,N-diphenylaniline
PubChem CID59184241
Molecular FormulaC66H50N4
Molecular Weight899.15 g/mol
Exact Mass898.40
IUPAC Name4-[2-methyl-5-[2-methyl-3-phenyl-1-[4-(N-phenylanilino)phenyl]indol-5-yl]-3-phenylindol-1-yl]-N,N-diphenylaniline
SMILESCc1c(-c2ccccc2)c2cc(-c3ccc4c(c3)c(-c3ccccc3)c(C)n4-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2n1-c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C66H50N4/c1-47-65(49-21-9-3-10-22-49)61-45-51(33-43-63(61)67(47)57-35-39-59(40-36-57)69(53-25-13-5-14-26-53)54-27-15-6-16-28-54)52-34-44-64-62(46-52)66(50-23-11-4-12-24-50)48(2)68(64)58-37-41-60(42-38-58)70(55-29-17-7-18-30-55)56-31-19-8-20-32-56/h3-46H,1-2H3
InChIKeyBKKSKGYGHQNSIB-UHFFFAOYSA-N
XLogP18.13
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500899.15
LogP ≤ 518.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[4-[2-methyl-5-[2-methyl-3-phenyl-1-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]indol-5-yl]-3-phenylindol-1-yl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 59184297
N-[4-[5-[1-[4-(dinaphthalen-2-ylamino)phenyl]-2-methyl-3-phenylindol-5-yl]-2-methyl-3-phenylindol-1-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 59184359
N-phenyl-4-(4-phenylphenyl)-N-[4-[6-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]aniline
CID 122524703
N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121312844
3,6-bis(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 158023150
1-N,3-N-bis[4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 59816026
N-(3,5-diphenylphenyl)-N-[4-[2-methyl-5-[2-methyl-1-[4-(N-naphthalen-1-yl-3,5-diphenylanilino)phenyl]-3-phenylindol-5-yl]-3-phenylindol-1-yl]phenyl]naphthalen-1-amine;N-[4-[2-methyl-5-[2-methyl-1-[4-(4-methyl-N-(3-phenylphenyl)anilino)phenyl]-3-phenylindol-5-yl]-3-phenylindol-1-yl]phenyl]-N-(4-methylphenyl)-3-phenylaniline;N-[4-[2-methyl-5-[2-methyl-3-phenyl-1-[4-(N-[4-(3-phenylphenyl)phenyl]anilino)phenyl]indol-5-yl]-3-phenylindol-1-yl]phenyl]-N-phenyl-4-(3-phenylphenyl)aniline
CID 159351263
N-[4-[3,6-bis(2-phenylphenyl)carbazol-9-yl]phenyl]-N-phenyl-4-(10-phenylanthracen-9-yl)aniline;N-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-N-phenyl-4-(10-phenylanthracen-9-yl)aniline
CID 158286296
4-phenyl-N,N-bis[4-(1,2,3-triphenylindol-5-yl)phenyl]aniline
CID 58161105
N-[4-[3-(6,9-diphenylcarbazol-3-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 59470021
3-methyl-N-phenyl-N-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]aniline
CID 59307122
N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 121312772

Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-5-[2-methyl-3-phenyl-1-[4-(N-phenylanilino)phenyl]indol-5-yl]-3-phenylindol-1-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[2-methyl-5-[2-methyl-3-phenyl-1-[4-(N-phenylanilino)phenyl]indol-5-yl]-3-phenylindol-1-yl]-N,N-diphenylaniline (CID 59184241) is 4-[2-methyl-5-[2-methyl-3-phenyl-1-[4-(N-phenylanilino)phenyl]indol-5-yl]-3-phenylindol-1-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[2-methyl-5-[2-methyl-3-phenyl-1-[4-(N-phenylanilino)phenyl]indol-5-yl]-3-phenylindol-1-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[2-methyl-5-[2-methyl-3-phenyl-1-[4-(N-phenylanilino)phenyl]indol-5-yl]-3-phenylindol-1-yl]-N,N-diphenylaniline is Cc1c(-c2ccccc2)c2cc(-c3ccc4c(c3)c(-c3ccccc3)c(C)n4-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2n1-c1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-[2-methyl-5-[2-methyl-3-phenyl-1-[4-(N-phenylanilino)phenyl]indol-5-yl]-3-phenylindol-1-yl]-N,N-diphenylaniline?
The InChIKey is BKKSKGYGHQNSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H50N4/c1-47-65(49-21-9-3-10-22-49)61-45-51(33-43-63(61)67(47)57-35-39-59(40-36-57)69(53-25-13-5-14-26-53)54-27-15-6-16-28-54)52-34-44-64-62(46-52)66(50-23-11-4-12-24-50)48(2)68(64)58-37-41-60(42-38-58)70(55-29-17-7-18-30-55)56-31-19-8-20-32-56/h3-46H,1-2H3.
What are the key properties of 4-[2-methyl-5-[2-methyl-3-phenyl-1-[4-(N-phenylanilino)phenyl]indol-5-yl]-3-phenylindol-1-yl]-N,N-diphenylaniline?
4-[2-methyl-5-[2-methyl-3-phenyl-1-[4-(N-phenylanilino)phenyl]indol-5-yl]-3-phenylindol-1-yl]-N,N-diphenylaniline has a molecular weight of 899.15 g/mol, XLogP of 18.13, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-5-[2-methyl-3-phenyl-1-[4-(N-phenylanilino)phenyl]indol-5-yl]-3-phenylindol-1-yl]-N,N-diphenylaniline is sourced from PubChem (CID 59184241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).