4-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenyl-N,N-bis[3-phenyl-4-(4-phenylphenyl)phenyl]aniline

C72H53N — CID 166990153

IUPAC4-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenyl-N,N-bis[3-phenyl-4-(4-phenylphenyl)phenyl]aniline
SMILESC1=CC(c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)c(-c5ccccc5)c4)c4ccc(-c5ccc(-c6ccccc6)cc5)c(-c5ccccc5)c4)cc3-c3ccccc3)cc2)=CCC1
InChIInChI=1S/C72H53N/c1-7-19-52(20-8-1)55-31-37-61(38-32-55)67-46-43-64(49-70(67)58-25-13-4-14-26-58)73(65-44-47-68(71(50-65)59-27-15-5-16-28-59)62-39-33-56(34-40-62)53-21-9-2-10-22-53)66-45-48-69(72(51-66)60-29-17-6-18-30-60)63-41-35-57(36-42-63)54-23-11-3-12-24-54/h1-2,4-11,13-51H,3,12H2
InChIKeyWPOISUMHLTUSDW-UHFFFAOYSA-N
MW932.22 g/mol
LogP20.23
Rot. Bonds12

About 4-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenyl-N,N-bis[3-phenyl-4-(4-phenylphenyl)phenyl]aniline

4-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenyl-N,N-bis[3-phenyl-4-(4-phenylphenyl)phenyl]aniline (PubChem CID 166990153) has the molecular formula C72H53N and a molecular weight of 932.22 g/mol. Its IUPAC name is 4-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenyl-N,N-bis[3-phenyl-4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound Name4-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenyl-N,N-bis[3-phenyl-4-(4-phenylphenyl)phenyl]aniline
PubChem CID166990153
Molecular FormulaC72H53N
Molecular Weight932.22 g/mol
Exact Mass931.42
IUPAC Name4-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenyl-N,N-bis[3-phenyl-4-(4-phenylphenyl)phenyl]aniline
SMILESC1=CC(c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)c(-c5ccccc5)c4)c4ccc(-c5ccc(-c6ccccc6)cc5)c(-c5ccccc5)c4)cc3-c3ccccc3)cc2)=CCC1
InChIInChI=1S/C72H53N/c1-7-19-52(20-8-1)55-31-37-61(38-32-55)67-46-43-64(49-70(67)58-25-13-4-14-26-58)73(65-44-47-68(71(50-65)59-27-15-5-16-28-59)62-39-33-56(34-40-62)53-21-9-2-10-22-53)66-45-48-69(72(51-66)60-29-17-6-18-30-60)63-41-35-57(36-42-63)54-23-11-3-12-24-54/h1-2,4-11,13-51H,3,12H2
InChIKeyWPOISUMHLTUSDW-UHFFFAOYSA-N
XLogP20.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500932.22
LogP ≤ 520.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[2-[4-(N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)phenyl]phenyl]-N,3-diphenyl-N-(4-phenylphenyl)aniline
CID 155393010
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline
CID 129111085
4-cyclohexa-1,5-dien-1-yl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 175611148
4-phenyl-N,N,3-tris(4-phenylphenyl)aniline
CID 121477646
1-N,3-N-bis(4-tert-butylphenyl)-3-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 123682396
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-(4-phenylphenyl)-3-[9-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]fluoren-9-yl]aniline
CID 145084846
N-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-3-phenyl-4-(1-phenyl-3a,7a-dihydroindol-4-yl)-N-(4-phenylphenyl)aniline
CID 155416763
N-[3-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
CID 170299190
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-10-phenylindeno[1,2-b]fluoren-2-amine
CID 142541184
N-[4-[4-[4-cyclohexa-1,5-dien-1-yl-N-(7,9-dihydro-6H-fluoren-3-yl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)-9H-fluoren-3-amine
CID 138495108
1-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-N,2-N-bis(9,9-dimethylfluoren-2-yl)-1-N-(4-phenylphenyl)benzene-1,2-diamine
CID 139322169
N,N,3-triphenyl-4-[4-(N-phenylanilino)phenyl]aniline
CID 18780381

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenyl-N,N-bis[3-phenyl-4-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of 4-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenyl-N,N-bis[3-phenyl-4-(4-phenylphenyl)phenyl]aniline (CID 166990153) is 4-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenyl-N,N-bis[3-phenyl-4-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for 4-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenyl-N,N-bis[3-phenyl-4-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for 4-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenyl-N,N-bis[3-phenyl-4-(4-phenylphenyl)phenyl]aniline is C1=CC(c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)c(-c5ccccc5)c4)c4ccc(-c5ccc(-c6ccccc6)cc5)c(-c5ccccc5)c4)cc3-c3ccccc3)cc2)=CCC1.
What is the InChIKey of 4-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenyl-N,N-bis[3-phenyl-4-(4-phenylphenyl)phenyl]aniline?
The InChIKey is WPOISUMHLTUSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H53N/c1-7-19-52(20-8-1)55-31-37-61(38-32-55)67-46-43-64(49-70(67)58-25-13-4-14-26-58)73(65-44-47-68(71(50-65)59-27-15-5-16-28-59)62-39-33-56(34-40-62)53-21-9-2-10-22-53)66-45-48-69(72(51-66)60-29-17-6-18-30-60)63-41-35-57(36-42-63)54-23-11-3-12-24-54/h1-2,4-11,13-51H,3,12H2.
What are the key properties of 4-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenyl-N,N-bis[3-phenyl-4-(4-phenylphenyl)phenyl]aniline?
4-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenyl-N,N-bis[3-phenyl-4-(4-phenylphenyl)phenyl]aniline has a molecular weight of 932.22 g/mol, XLogP of 20.23, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenyl-N,N-bis[3-phenyl-4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 166990153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).