N,N-diphenyl-3-[5-(N-[3-[3-(N-[3-[5-(N-phenylanilino)cyclohexa-1,3-dien-1-yl]phenyl]anilino)phenyl]phenyl]anilino)cyclohexa-1,3-dien-1-yl]aniline

C72H58N4 — CID 59110985

IUPACN,N-diphenyl-3-[5-(N-[3-[3-(N-[3-[5-(N-phenylanilino)cyclohexa-1,3-dien-1-yl]phenyl]anilino)phenyl]phenyl]anilino)cyclohexa-1,3-dien-1-yl]aniline
SMILESC1=CC(N(c2ccccc2)c2ccccc2)CC(c2cccc(N(c3ccccc3)c3cccc(-c4cccc(N(c5ccccc5)C5C=CC=C(c6cccc(N(c7ccccc7)c7ccccc7)c6)C5)c4)c3)c2)=C1
InChIInChI=1S/C72H58N4/c1-7-31-61(32-8-1)73(62-33-9-2-10-34-62)67-43-19-25-55(49-67)57-27-21-45-69(51-57)75(65-39-15-5-16-40-65)71-47-23-29-59(53-71)60-30-24-48-72(54-60)76(66-41-17-6-18-42-66)70-46-22-28-58(52-70)56-26-20-44-68(50-56)74(63-35-11-3-12-36-63)64-37-13-4-14-38-64/h1-49,52-54,68-69H,50-51H2
InChIKeyVYILENNBQYQPFQ-UHFFFAOYSA-N
MW979.28 g/mol
LogP19.39
Rot. Bonds15

About N,N-diphenyl-3-[5-(N-[3-[3-(N-[3-[5-(N-phenylanilino)cyclohexa-1,3-dien-1-yl]phenyl]anilino)phenyl]phenyl]anilino)cyclohexa-1,3-dien-1-yl]aniline

N,N-diphenyl-3-[5-(N-[3-[3-(N-[3-[5-(N-phenylanilino)cyclohexa-1,3-dien-1-yl]phenyl]anilino)phenyl]phenyl]anilino)cyclohexa-1,3-dien-1-yl]aniline (PubChem CID 59110985) has the molecular formula C72H58N4 and a molecular weight of 979.28 g/mol. Its IUPAC name is N,N-diphenyl-3-[5-(N-[3-[3-(N-[3-[5-(N-phenylanilino)cyclohexa-1,3-dien-1-yl]phenyl]anilino)phenyl]phenyl]anilino)cyclohexa-1,3-dien-1-yl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-3-[5-(N-[3-[3-(N-[3-[5-(N-phenylanilino)cyclohexa-1,3-dien-1-yl]phenyl]anilino)phenyl]phenyl]anilino)cyclohexa-1,3-dien-1-yl]aniline
PubChem CID59110985
Molecular FormulaC72H58N4
Molecular Weight979.28 g/mol
Exact Mass978.47
IUPAC NameN,N-diphenyl-3-[5-(N-[3-[3-(N-[3-[5-(N-phenylanilino)cyclohexa-1,3-dien-1-yl]phenyl]anilino)phenyl]phenyl]anilino)cyclohexa-1,3-dien-1-yl]aniline
SMILESC1=CC(N(c2ccccc2)c2ccccc2)CC(c2cccc(N(c3ccccc3)c3cccc(-c4cccc(N(c5ccccc5)C5C=CC=C(c6cccc(N(c7ccccc7)c7ccccc7)c6)C5)c4)c3)c2)=C1
InChIInChI=1S/C72H58N4/c1-7-31-61(32-8-1)73(62-33-9-2-10-34-62)67-43-19-25-55(49-67)57-27-21-45-69(51-57)75(65-39-15-5-16-40-65)71-47-23-29-59(53-71)60-30-24-48-72(54-60)76(66-41-17-6-18-42-66)70-46-22-28-58(52-70)56-26-20-44-68(50-56)74(63-35-11-3-12-36-63)64-37-13-4-14-38-64/h1-49,52-54,68-69H,50-51H2
InChIKeyVYILENNBQYQPFQ-UHFFFAOYSA-N
XLogP19.39
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500979.28
LogP ≤ 519.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-phenyl-1-N-(5-phenylcyclohexa-2,4-dien-1-yl)-4-N-(3-phenylphenyl)benzene-1,4-diamine
CID 70848535
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-phenyl-3-(3-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]aniline
CID 166591076
N,N-diphenyl-3-[4-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline;N,N-diphenyl-3-[4-[3-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[3-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 159305688
N,3-diphenyl-N-[4-[4-(N-[4-[4-(N-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 22013506
N,3-diphenyl-N-[4-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 59090384
N,N-diphenyl-3-[3-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 118689272
3-[4-(N-phenylanilino)phenyl]-N-[4-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 126502501
N,N-diphenyl-3-[3-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-3-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;ethane
CID 159114076
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

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-3-[5-(N-[3-[3-(N-[3-[5-(N-phenylanilino)cyclohexa-1,3-dien-1-yl]phenyl]anilino)phenyl]phenyl]anilino)cyclohexa-1,3-dien-1-yl]aniline?
The IUPAC name of N,N-diphenyl-3-[5-(N-[3-[3-(N-[3-[5-(N-phenylanilino)cyclohexa-1,3-dien-1-yl]phenyl]anilino)phenyl]phenyl]anilino)cyclohexa-1,3-dien-1-yl]aniline (CID 59110985) is N,N-diphenyl-3-[5-(N-[3-[3-(N-[3-[5-(N-phenylanilino)cyclohexa-1,3-dien-1-yl]phenyl]anilino)phenyl]phenyl]anilino)cyclohexa-1,3-dien-1-yl]aniline.
What is the SMILES notation for N,N-diphenyl-3-[5-(N-[3-[3-(N-[3-[5-(N-phenylanilino)cyclohexa-1,3-dien-1-yl]phenyl]anilino)phenyl]phenyl]anilino)cyclohexa-1,3-dien-1-yl]aniline?
The canonical SMILES for N,N-diphenyl-3-[5-(N-[3-[3-(N-[3-[5-(N-phenylanilino)cyclohexa-1,3-dien-1-yl]phenyl]anilino)phenyl]phenyl]anilino)cyclohexa-1,3-dien-1-yl]aniline is C1=CC(N(c2ccccc2)c2ccccc2)CC(c2cccc(N(c3ccccc3)c3cccc(-c4cccc(N(c5ccccc5)C5C=CC=C(c6cccc(N(c7ccccc7)c7ccccc7)c6)C5)c4)c3)c2)=C1.
What is the InChIKey of N,N-diphenyl-3-[5-(N-[3-[3-(N-[3-[5-(N-phenylanilino)cyclohexa-1,3-dien-1-yl]phenyl]anilino)phenyl]phenyl]anilino)cyclohexa-1,3-dien-1-yl]aniline?
The InChIKey is VYILENNBQYQPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H58N4/c1-7-31-61(32-8-1)73(62-33-9-2-10-34-62)67-43-19-25-55(49-67)57-27-21-45-69(51-57)75(65-39-15-5-16-40-65)71-47-23-29-59(53-71)60-30-24-48-72(54-60)76(66-41-17-6-18-42-66)70-46-22-28-58(52-70)56-26-20-44-68(50-56)74(63-35-11-3-12-36-63)64-37-13-4-14-38-64/h1-49,52-54,68-69H,50-51H2.
What are the key properties of N,N-diphenyl-3-[5-(N-[3-[3-(N-[3-[5-(N-phenylanilino)cyclohexa-1,3-dien-1-yl]phenyl]anilino)phenyl]phenyl]anilino)cyclohexa-1,3-dien-1-yl]aniline?
N,N-diphenyl-3-[5-(N-[3-[3-(N-[3-[5-(N-phenylanilino)cyclohexa-1,3-dien-1-yl]phenyl]anilino)phenyl]phenyl]anilino)cyclohexa-1,3-dien-1-yl]aniline has a molecular weight of 979.28 g/mol, XLogP of 19.39, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-3-[5-(N-[3-[3-(N-[3-[5-(N-phenylanilino)cyclohexa-1,3-dien-1-yl]phenyl]anilino)phenyl]phenyl]anilino)cyclohexa-1,3-dien-1-yl]aniline is sourced from PubChem (CID 59110985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).