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

C52H39N — CID 170299190

IUPACN-[3-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
SMILESC1=CC(c2cc(-c3ccccc3)cc(-c3cccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)c5ccccc45)c3)c2)=CCC1
InChIInChI=1S/C52H39N/c1-5-16-38(17-6-1)41-28-30-47(31-29-41)53(52-33-32-49(42-22-11-4-12-23-42)50-26-13-14-27-51(50)52)48-25-15-24-43(37-48)46-35-44(39-18-7-2-8-19-39)34-45(36-46)40-20-9-3-10-21-40/h1-2,4-9,11-37H,3,10H2
InChIKeyFHVZKPAOFBLLNO-UHFFFAOYSA-N
MW677.89 g/mol
LogP14.71
Rot. Bonds8

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

N-[3-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine (PubChem CID 170299190) has the molecular formula C52H39N and a molecular weight of 677.89 g/mol. Its IUPAC name is N-[3-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-[3-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
PubChem CID170299190
Molecular FormulaC52H39N
Molecular Weight677.89 g/mol
Exact Mass677.31
IUPAC NameN-[3-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
SMILESC1=CC(c2cc(-c3ccccc3)cc(-c3cccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)c5ccccc45)c3)c2)=CCC1
InChIInChI=1S/C52H39N/c1-5-16-38(17-6-1)41-28-30-47(31-29-41)53(52-33-32-49(42-22-11-4-12-23-42)50-26-13-14-27-51(50)52)48-25-15-24-43(37-48)46-35-44(39-18-7-2-8-19-39)34-45(36-46)40-20-9-3-10-21-40/h1-2,4-9,11-37H,3,10H2
InChIKeyFHVZKPAOFBLLNO-UHFFFAOYSA-N
XLogP14.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.89
LogP ≤ 514.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-(3,5-diphenylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
CID 166974675
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CID 155393010
4-cyclohexa-1,5-dien-1-yl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 175611148
N,4-diphenyl-N-[4-(6-phenylnaphthalen-2-yl)phenyl]naphthalen-1-amine
CID 139352916
4-(4-chrysen-2-ylphenyl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine
CID 170141564
N-[4-[4-(3-cyclohexa-1,5-dien-1-yl-N-(3-phenylphenyl)anilino)phenyl]phenyl]-N,3-dimethylaniline
CID 143685243
4-cyclohexa-1,5-dien-1-yl-N-[4-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 146247654
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
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
5-naphthalen-1-yl-2-phenyl-N-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167236259
N-[4-(2-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-cyclohexa-1,5-dien-1-yl-N-(3-phenylphenyl)aniline
CID 156558918
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

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine?
The IUPAC name of N-[3-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine (CID 170299190) is N-[3-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine.
What is the SMILES notation for N-[3-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine?
The canonical SMILES for N-[3-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine is C1=CC(c2cc(-c3ccccc3)cc(-c3cccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)c5ccccc45)c3)c2)=CCC1.
What is the InChIKey of N-[3-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine?
The InChIKey is FHVZKPAOFBLLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H39N/c1-5-16-38(17-6-1)41-28-30-47(31-29-41)53(52-33-32-49(42-22-11-4-12-23-42)50-26-13-14-27-51(50)52)48-25-15-24-43(37-48)46-35-44(39-18-7-2-8-19-39)34-45(36-46)40-20-9-3-10-21-40/h1-2,4-9,11-37H,3,10H2.
What are the key properties of N-[3-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine?
N-[3-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine has a molecular weight of 677.89 g/mol, XLogP of 14.71, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine is sourced from PubChem (CID 170299190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).