4-[2-[4-(N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)phenyl]phenyl]-N,3-diphenyl-N-(4-phenylphenyl)aniline

C60H46N2 — CID 155393010

IUPAC4-[2-[4-(N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)phenyl]phenyl]-N,3-diphenyl-N-(4-phenylphenyl)aniline
SMILESC1=CC(c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4-c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc4-c4ccccc4)cc3)cc2)=CCC1
InChIInChI=1S/C60H46N2/c1-6-18-45(19-7-1)47-30-36-53(37-31-47)61(51-24-12-4-13-25-51)54-40-34-50(35-41-54)57-28-16-17-29-58(57)59-43-42-56(44-60(59)49-22-10-3-11-23-49)62(52-26-14-5-15-27-52)55-38-32-48(33-39-55)46-20-8-2-9-21-46/h2-6,8-44H,1,7H2
InChIKeyKGSKMUOMZBRMED-UHFFFAOYSA-N
MW795.04 g/mol
LogP17.03
Rot. Bonds11

About 4-[2-[4-(N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)phenyl]phenyl]-N,3-diphenyl-N-(4-phenylphenyl)aniline

4-[2-[4-(N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)phenyl]phenyl]-N,3-diphenyl-N-(4-phenylphenyl)aniline (PubChem CID 155393010) has the molecular formula C60H46N2 and a molecular weight of 795.04 g/mol. Its IUPAC name is 4-[2-[4-(N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)phenyl]phenyl]-N,3-diphenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name4-[2-[4-(N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)phenyl]phenyl]-N,3-diphenyl-N-(4-phenylphenyl)aniline
PubChem CID155393010
Molecular FormulaC60H46N2
Molecular Weight795.04 g/mol
Exact Mass794.37
IUPAC Name4-[2-[4-(N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)phenyl]phenyl]-N,3-diphenyl-N-(4-phenylphenyl)aniline
SMILESC1=CC(c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4-c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc4-c4ccccc4)cc3)cc2)=CCC1
InChIInChI=1S/C60H46N2/c1-6-18-45(19-7-1)47-30-36-53(37-31-47)61(51-24-12-4-13-25-51)54-40-34-50(35-41-54)57-28-16-17-29-58(57)59-43-42-56(44-60(59)49-22-10-3-11-23-49)62(52-26-14-5-15-27-52)55-38-32-48(33-39-55)46-20-8-2-9-21-46/h2-6,8-44H,1,7H2
InChIKeyKGSKMUOMZBRMED-UHFFFAOYSA-N
XLogP17.03
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.04
LogP ≤ 517.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenyl-N,N-bis[3-phenyl-4-(4-phenylphenyl)phenyl]aniline
CID 166990153
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-cyclohexa-1,5-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline
CID 129111085
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
4-cyclohexa-1,5-dien-1-yl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 175611148
N,N,3-triphenyl-4-[4-(N-phenylanilino)phenyl]aniline
CID 18780381
4-phenyl-N,N,3-tris(4-phenylphenyl)aniline
CID 121477646
N-[3-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
CID 170299190
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-[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
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-cyclohexa-1,5-dien-1-ylphenyl)-1,2,3,3-tetramethyl-N-[2-(2-phenylphenyl)phenyl]inden-5-amine
CID 123612637

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)phenyl]phenyl]-N,3-diphenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of 4-[2-[4-(N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)phenyl]phenyl]-N,3-diphenyl-N-(4-phenylphenyl)aniline (CID 155393010) is 4-[2-[4-(N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)phenyl]phenyl]-N,3-diphenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 4-[2-[4-(N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)phenyl]phenyl]-N,3-diphenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for 4-[2-[4-(N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)phenyl]phenyl]-N,3-diphenyl-N-(4-phenylphenyl)aniline is C1=CC(c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4-c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc4-c4ccccc4)cc3)cc2)=CCC1.
What is the InChIKey of 4-[2-[4-(N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)phenyl]phenyl]-N,3-diphenyl-N-(4-phenylphenyl)aniline?
The InChIKey is KGSKMUOMZBRMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H46N2/c1-6-18-45(19-7-1)47-30-36-53(37-31-47)61(51-24-12-4-13-25-51)54-40-34-50(35-41-54)57-28-16-17-29-58(57)59-43-42-56(44-60(59)49-22-10-3-11-23-49)62(52-26-14-5-15-27-52)55-38-32-48(33-39-55)46-20-8-2-9-21-46/h2-6,8-44H,1,7H2.
What are the key properties of 4-[2-[4-(N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)phenyl]phenyl]-N,3-diphenyl-N-(4-phenylphenyl)aniline?
4-[2-[4-(N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)phenyl]phenyl]-N,3-diphenyl-N-(4-phenylphenyl)aniline has a molecular weight of 795.04 g/mol, XLogP of 17.03, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)phenyl]phenyl]-N,3-diphenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 155393010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).