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

C46H35N — CID 175611148

IUPAC4-cyclohexa-1,5-dien-1-yl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESC1=CC(c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc(-c5ccccc5)cc5ccccc45)cc3)cc2)=CCC1
InChIInChI=1S/C46H35N/c1-4-12-34(13-5-1)37-20-26-42(27-21-37)47(43-28-22-38(23-29-43)35-14-6-2-7-15-35)44-30-24-39(25-31-44)46-33-41(36-16-8-3-9-17-36)32-40-18-10-11-19-45(40)46/h1,3-6,8-33H,2,7H2
InChIKeyGZCLYPGCGKEDKS-UHFFFAOYSA-N
MW601.79 g/mol
LogP13.04
Rot. Bonds7

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

4-cyclohexa-1,5-dien-1-yl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 175611148) has the molecular formula C46H35N and a molecular weight of 601.79 g/mol. Its IUPAC name is 4-cyclohexa-1,5-dien-1-yl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name4-cyclohexa-1,5-dien-1-yl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)aniline
PubChem CID175611148
Molecular FormulaC46H35N
Molecular Weight601.79 g/mol
Exact Mass601.28
IUPAC Name4-cyclohexa-1,5-dien-1-yl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESC1=CC(c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc(-c5ccccc5)cc5ccccc45)cc3)cc2)=CCC1
InChIInChI=1S/C46H35N/c1-4-12-34(13-5-1)37-20-26-42(27-21-37)47(43-28-22-38(23-29-43)35-14-6-2-7-15-35)44-30-24-39(25-31-44)46-33-41(36-16-8-3-9-17-36)32-40-18-10-11-19-45(40)46/h1,3-6,8-33H,2,7H2
InChIKeyGZCLYPGCGKEDKS-UHFFFAOYSA-N
XLogP13.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.79
LogP ≤ 513.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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
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
N-phenyl-N-[4-(4-phenylnaphthalen-2-yl)phenyl]-4-(3-phenylphenyl)aniline
CID 139352860
N-phenyl-4-(3-phenylnaphthalen-1-yl)-N-[4-(2,4,6-triphenylphenyl)phenyl]aniline
CID 156808683
N-phenyl-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]phenyl]naphthalen-2-amine
CID 166917627
N-[3-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
CID 170299190
4-cyclohexa-1,5-dien-1-yl-N-[4-[4-[2-(1-naphthalen-1-yl-5-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 166876376
5-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-11,11-dimethyl-2-N,5-N-diphenyl-2-N-(4-phenylphenyl)benzo[b]fluorene-2,5-diamine
CID 134442738
N,4-diphenyl-N-[4-(4-phenylnaphthalen-2-yl)phenyl]naphthalen-1-amine
CID 139352637
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-[4-[4-cyclohexa-1,5-dien-1-yl-N-(7,8-dihydrodibenzofuran-2-yl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 138495094

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-1,5-dien-1-yl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)aniline?
The IUPAC name of 4-cyclohexa-1,5-dien-1-yl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)aniline (CID 175611148) is 4-cyclohexa-1,5-dien-1-yl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 4-cyclohexa-1,5-dien-1-yl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for 4-cyclohexa-1,5-dien-1-yl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)aniline is C1=CC(c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc(-c5ccccc5)cc5ccccc45)cc3)cc2)=CCC1.
What is the InChIKey of 4-cyclohexa-1,5-dien-1-yl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)aniline?
The InChIKey is GZCLYPGCGKEDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H35N/c1-4-12-34(13-5-1)37-20-26-42(27-21-37)47(43-28-22-38(23-29-43)35-14-6-2-7-15-35)44-30-24-39(25-31-44)46-33-41(36-16-8-3-9-17-36)32-40-18-10-11-19-45(40)46/h1,3-6,8-33H,2,7H2.
What are the key properties of 4-cyclohexa-1,5-dien-1-yl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)aniline?
4-cyclohexa-1,5-dien-1-yl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)aniline has a molecular weight of 601.79 g/mol, XLogP of 13.04, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-1,5-dien-1-yl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 175611148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).