3-N-[3-(N-[3-(N-[3-(N-[3,5-bis(N-phenylanilino)phenyl]anilino)phenyl]anilino)-5-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine

C114H87N9 — CID 155054486

IUPAC3-N-[3-(N-[3-(N-[3-(N-[3,5-bis(N-phenylanilino)phenyl]anilino)phenyl]anilino)-5-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine
SMILESc1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)cc(N(c3ccccc3)c3cccc(N(c4ccccc4)c4cc(N(c5ccccc5)c5ccccc5)cc(N(c5ccccc5)c5cccc(N(c6ccccc6)c6cc(N(c7ccccc7)c7ccccc7)cc(N(c7ccccc7)c7ccccc7)c6)c5)c4)c3)c2)cc1
InChIInChI=1S/C114H87N9/c1-15-45-88(46-16-1)115(89-47-17-2-18-48-89)106-79-107(116(90-49-19-3-20-50-90)91-51-21-4-22-52-91)82-111(81-106)120(98-65-35-11-36-66-98)102-73-43-75-104(77-102)122(100-69-39-13-40-70-100)113-85-110(119(96-61-31-9-32-62-96)97-63-33-10-34-64-97)86-114(87-113)123(101-71-41-14-42-72-101)105-76-44-74-103(78-105)121(99-67-37-12-38-68-99)112-83-108(117(92-53-23-5-24-54-92)93-55-25-6-26-56-93)80-109(84-112)118(94-57-27-7-28-58-94)95-59-29-8-30-60-95/h1-87H
InChIKeyGEXYPJDOBPEUCO-UHFFFAOYSA-N
MW1583.01 g/mol
LogP32.91
Rot. Bonds27

About 3-N-[3-(N-[3-(N-[3-(N-[3,5-bis(N-phenylanilino)phenyl]anilino)phenyl]anilino)-5-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine

3-N-[3-(N-[3-(N-[3-(N-[3,5-bis(N-phenylanilino)phenyl]anilino)phenyl]anilino)-5-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine (PubChem CID 155054486) has the molecular formula C114H87N9 and a molecular weight of 1583.01 g/mol. Its IUPAC name is 3-N-[3-(N-[3-(N-[3-(N-[3,5-bis(N-phenylanilino)phenyl]anilino)phenyl]anilino)-5-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine.

Molecular Properties

Compound Name3-N-[3-(N-[3-(N-[3-(N-[3,5-bis(N-phenylanilino)phenyl]anilino)phenyl]anilino)-5-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine
PubChem CID155054486
Molecular FormulaC114H87N9
Molecular Weight1583.01 g/mol
Exact Mass1581.71
IUPAC Name3-N-[3-(N-[3-(N-[3-(N-[3,5-bis(N-phenylanilino)phenyl]anilino)phenyl]anilino)-5-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine
SMILESc1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)cc(N(c3ccccc3)c3cccc(N(c4ccccc4)c4cc(N(c5ccccc5)c5ccccc5)cc(N(c5ccccc5)c5cccc(N(c6ccccc6)c6cc(N(c7ccccc7)c7ccccc7)cc(N(c7ccccc7)c7ccccc7)c6)c5)c4)c3)c2)cc1
InChIInChI=1S/C114H87N9/c1-15-45-88(46-16-1)115(89-47-17-2-18-48-89)106-79-107(116(90-49-19-3-20-50-90)91-51-21-4-22-52-91)82-111(81-106)120(98-65-35-11-36-66-98)102-73-43-75-104(77-102)122(100-69-39-13-40-70-100)113-85-110(119(96-61-31-9-32-62-96)97-63-33-10-34-64-97)86-114(87-113)123(101-71-41-14-42-72-101)105-76-44-74-103(78-105)121(99-67-37-12-38-68-99)112-83-108(117(92-53-23-5-24-54-92)93-55-25-6-26-56-93)80-109(84-112)118(94-57-27-7-28-58-94)95-59-29-8-30-60-95/h1-87H
InChIKeyGEXYPJDOBPEUCO-UHFFFAOYSA-N
XLogP32.91
TPSA29.16 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds27
Heavy Atoms123
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001583.01
LogP ≤ 532.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-N-[3-(N-[3-(N-[3-(N-[3,5-bis(N-phenylanilino)phenyl]anilino)phenyl]anilino)-5-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine with MolForge

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Related Compounds

1-N,1-N,3-N-triphenyl-3-N-[3-(N-[3-(N-[3-(N-phenylanilino)phenyl]anilino)phenyl]anilino)phenyl]benzene-1,3-diamine
CID 58623553
1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 4163727
1-N,1-N,3-N,3-N-tetraphenyl-5-silylbenzene-1,3-diamine
CID 123228848
3-N-(4-methylphenyl)-3-N-[4-(4-methyl-N-[3-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N-diphenylbenzene-1,3-diamine
CID 59866528
1-N,1-N,4-N-triphenyl-4-N-[3-[3-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 131863770
3-phenyl-N-[3-[3-(N-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)aniline
CID 126731391
N,N-diphenylaniline;silane
CID 131739129
N-phenyl-3-(3-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]aniline
CID 166591076
1-N,1-N,3-N,3-N-tetrakis[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine
CID 59745960
azane;N,N-diphenylaniline;methane
CID 174725062
acetylene;N,N-diphenylaniline
CID 162160270
N,N-diphenylaniline;ethene
CID 135186601

Frequently Asked Questions

What is the IUPAC name of 3-N-[3-(N-[3-(N-[3-(N-[3,5-bis(N-phenylanilino)phenyl]anilino)phenyl]anilino)-5-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine?
The IUPAC name of 3-N-[3-(N-[3-(N-[3-(N-[3,5-bis(N-phenylanilino)phenyl]anilino)phenyl]anilino)-5-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine (CID 155054486) is 3-N-[3-(N-[3-(N-[3-(N-[3,5-bis(N-phenylanilino)phenyl]anilino)phenyl]anilino)-5-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine.
What is the SMILES notation for 3-N-[3-(N-[3-(N-[3-(N-[3,5-bis(N-phenylanilino)phenyl]anilino)phenyl]anilino)-5-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine?
The canonical SMILES for 3-N-[3-(N-[3-(N-[3-(N-[3,5-bis(N-phenylanilino)phenyl]anilino)phenyl]anilino)-5-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine is c1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)cc(N(c3ccccc3)c3cccc(N(c4ccccc4)c4cc(N(c5ccccc5)c5ccccc5)cc(N(c5ccccc5)c5cccc(N(c6ccccc6)c6cc(N(c7ccccc7)c7ccccc7)cc(N(c7ccccc7)c7ccccc7)c6)c5)c4)c3)c2)cc1.
What is the InChIKey of 3-N-[3-(N-[3-(N-[3-(N-[3,5-bis(N-phenylanilino)phenyl]anilino)phenyl]anilino)-5-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine?
The InChIKey is GEXYPJDOBPEUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C114H87N9/c1-15-45-88(46-16-1)115(89-47-17-2-18-48-89)106-79-107(116(90-49-19-3-20-50-90)91-51-21-4-22-52-91)82-111(81-106)120(98-65-35-11-36-66-98)102-73-43-75-104(77-102)122(100-69-39-13-40-70-100)113-85-110(119(96-61-31-9-32-62-96)97-63-33-10-34-64-97)86-114(87-113)123(101-71-41-14-42-72-101)105-76-44-74-103(78-105)121(99-67-37-12-38-68-99)112-83-108(117(92-53-23-5-24-54-92)93-55-25-6-26-56-93)80-109(84-112)118(94-57-27-7-28-58-94)95-59-29-8-30-60-95/h1-87H.
What are the key properties of 3-N-[3-(N-[3-(N-[3-(N-[3,5-bis(N-phenylanilino)phenyl]anilino)phenyl]anilino)-5-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine?
3-N-[3-(N-[3-(N-[3-(N-[3,5-bis(N-phenylanilino)phenyl]anilino)phenyl]anilino)-5-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine has a molecular weight of 1583.01 g/mol, XLogP of 32.91, 27 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[3-(N-[3-(N-[3-(N-[3,5-bis(N-phenylanilino)phenyl]anilino)phenyl]anilino)-5-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine is sourced from PubChem (CID 155054486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).