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

C90H68N6 — CID 59184297

IUPAC4-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
SMILESCc1c(-c2ccccc2)c2cc(-c3ccc4c(c3)c(-c3ccccc3)c(C)n4-c3ccc(N(c4ccccc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)ccc2n1-c1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C90H68N6/c1-65-89(67-27-11-3-12-28-67)85-63-69(43-61-87(85)91(65)77-45-49-81(50-46-77)95(75-39-23-9-24-40-75)83-57-53-79(54-58-83)93(71-31-15-5-16-32-71)72-33-17-6-18-34-72)70-44-62-88-86(64-70)90(68-29-13-4-14-30-68)66(2)92(88)78-47-51-82(52-48-78)96(76-41-25-10-26-42-76)84-59-55-80(56-60-84)94(73-35-19-7-20-36-73)74-37-21-8-22-38-74/h3-64H,1-2H3
InChIKeyQQHUULYOTYRJEC-UHFFFAOYSA-N
MW1233.58 g/mol
LogP25.07
Rot. Bonds17

About 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

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 (PubChem CID 59184297) has the molecular formula C90H68N6 and a molecular weight of 1233.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID59184297
Molecular FormulaC90H68N6
Molecular Weight1233.58 g/mol
Exact Mass1232.55
IUPAC Name4-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
SMILESCc1c(-c2ccccc2)c2cc(-c3ccc4c(c3)c(-c3ccccc3)c(C)n4-c3ccc(N(c4ccccc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)ccc2n1-c1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C90H68N6/c1-65-89(67-27-11-3-12-28-67)85-63-69(43-61-87(85)91(65)77-45-49-81(50-46-77)95(75-39-23-9-24-40-75)83-57-53-79(54-58-83)93(71-31-15-5-16-32-71)72-33-17-6-18-34-72)70-44-62-88-86(64-70)90(68-29-13-4-14-30-68)66(2)92(88)78-47-51-82(52-48-78)96(76-41-25-10-26-42-76)84-59-55-80(56-60-84)94(73-35-19-7-20-36-73)74-37-21-8-22-38-74/h3-64H,1-2H3
InChIKeyQQHUULYOTYRJEC-UHFFFAOYSA-N
XLogP25.07
TPSA22.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001233.58
LogP ≤ 525.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
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-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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1c(-c2ccccc2)c2cc(-c3ccc4c(c3)c(-c3ccccc3)c(C)n4-c3ccc(N(c4ccccc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)ccc2n1-c1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is QQHUULYOTYRJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H68N6/c1-65-89(67-27-11-3-12-28-67)85-63-69(43-61-87(85)91(65)77-45-49-81(50-46-77)95(75-39-23-9-24-40-75)83-57-53-79(54-58-83)93(71-31-15-5-16-32-71)72-33-17-6-18-34-72)70-44-62-88-86(64-70)90(68-29-13-4-14-30-68)66(2)92(88)78-47-51-82(52-48-78)96(76-41-25-10-26-42-76)84-59-55-80(56-60-84)94(73-35-19-7-20-36-73)74-37-21-8-22-38-74/h3-64H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1233.58 g/mol, XLogP of 25.07, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 59184297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).