4-phenyl-N,N-bis[4-(1,2,3-triphenylindol-5-yl)phenyl]aniline

C76H53N3 — CID 58161105

IUPAC4-phenyl-N,N-bis[4-(1,2,3-triphenylindol-5-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c(-c4ccccc4)c(-c4ccccc4)n5-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c(-c4ccccc4)c(-c4ccccc4)n5-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C76H53N3/c1-8-22-54(23-9-1)55-36-44-66(45-37-55)77(67-46-38-56(39-47-67)62-42-50-71-69(52-62)73(58-24-10-2-11-25-58)75(60-28-14-4-15-29-60)78(71)64-32-18-6-19-33-64)68-48-40-57(41-49-68)63-43-51-72-70(53-63)74(59-26-12-3-13-27-59)76(61-30-16-5-17-31-61)79(72)65-34-20-7-21-35-65/h1-53H
InChIKeyIJPCNQDLAOECCY-UHFFFAOYSA-N
MW1008.28 g/mol
LogP20.71
Rot. Bonds12

About 4-phenyl-N,N-bis[4-(1,2,3-triphenylindol-5-yl)phenyl]aniline

4-phenyl-N,N-bis[4-(1,2,3-triphenylindol-5-yl)phenyl]aniline (PubChem CID 58161105) has the molecular formula C76H53N3 and a molecular weight of 1008.28 g/mol. Its IUPAC name is 4-phenyl-N,N-bis[4-(1,2,3-triphenylindol-5-yl)phenyl]aniline.

Molecular Properties

Compound Name4-phenyl-N,N-bis[4-(1,2,3-triphenylindol-5-yl)phenyl]aniline
PubChem CID58161105
Molecular FormulaC76H53N3
Molecular Weight1008.28 g/mol
Exact Mass1007.42
IUPAC Name4-phenyl-N,N-bis[4-(1,2,3-triphenylindol-5-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c(-c4ccccc4)c(-c4ccccc4)n5-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c(-c4ccccc4)c(-c4ccccc4)n5-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C76H53N3/c1-8-22-54(23-9-1)55-36-44-66(45-37-55)77(67-46-38-56(39-47-67)62-42-50-71-69(52-62)73(58-24-10-2-11-25-58)75(60-28-14-4-15-29-60)78(71)64-32-18-6-19-33-64)68-48-40-57(41-49-68)63-43-51-72-70(53-63)74(59-26-12-3-13-27-59)76(61-30-16-5-17-31-61)79(72)65-34-20-7-21-35-65/h1-53H
InChIKeyIJPCNQDLAOECCY-UHFFFAOYSA-N
XLogP20.71
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001008.28
LogP ≤ 520.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis[4-(3-phenylphenyl)phenyl]-4-(1,2,3-triphenylindol-5-yl)aniline
CID 58161042
9-phenyl-N,N-bis[4-(1,2,3-triphenylindol-5-yl)phenyl]carbazol-3-amine
CID 58161015
4-[2,3-diphenyl-1-(4-phenylphenyl)indol-5-yl]-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline
CID 58161036
N-naphthalen-2-yl-N-[4-[1-phenyl-2,3-bis(4-phenylphenyl)indol-6-yl]phenyl]naphthalen-2-amine
CID 118459327
1-(3,5-diphenylphenyl)-2,3,5-triphenylindole
CID 126620765
N-[4-[3-(6,9-diphenylcarbazol-3-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 59470021
N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121312844
N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N,4-bis(4-fluorophenyl)aniline
CID 90193949
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
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-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59469837
N-phenyl-4-(4-phenylphenyl)-N-[4-[6-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]aniline
CID 122524703

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N,N-bis[4-(1,2,3-triphenylindol-5-yl)phenyl]aniline?
The IUPAC name of 4-phenyl-N,N-bis[4-(1,2,3-triphenylindol-5-yl)phenyl]aniline (CID 58161105) is 4-phenyl-N,N-bis[4-(1,2,3-triphenylindol-5-yl)phenyl]aniline.
What is the SMILES notation for 4-phenyl-N,N-bis[4-(1,2,3-triphenylindol-5-yl)phenyl]aniline?
The canonical SMILES for 4-phenyl-N,N-bis[4-(1,2,3-triphenylindol-5-yl)phenyl]aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c(-c4ccccc4)c(-c4ccccc4)n5-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c(-c4ccccc4)c(-c4ccccc4)n5-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 4-phenyl-N,N-bis[4-(1,2,3-triphenylindol-5-yl)phenyl]aniline?
The InChIKey is IJPCNQDLAOECCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H53N3/c1-8-22-54(23-9-1)55-36-44-66(45-37-55)77(67-46-38-56(39-47-67)62-42-50-71-69(52-62)73(58-24-10-2-11-25-58)75(60-28-14-4-15-29-60)78(71)64-32-18-6-19-33-64)68-48-40-57(41-49-68)63-43-51-72-70(53-63)74(59-26-12-3-13-27-59)76(61-30-16-5-17-31-61)79(72)65-34-20-7-21-35-65/h1-53H.
What are the key properties of 4-phenyl-N,N-bis[4-(1,2,3-triphenylindol-5-yl)phenyl]aniline?
4-phenyl-N,N-bis[4-(1,2,3-triphenylindol-5-yl)phenyl]aniline has a molecular weight of 1008.28 g/mol, XLogP of 20.71, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N,N-bis[4-(1,2,3-triphenylindol-5-yl)phenyl]aniline is sourced from PubChem (CID 58161105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).