8-[6-[4-(N-(3-methylphenyl)anilino)phenyl]naphthalen-1-yl]-4-[4-(N-phenylanilino)phenyl]naphthalen-1-amine

C57H43N3 — CID 138655658

IUPAC8-[6-[4-(N-(3-methylphenyl)anilino)phenyl]naphthalen-1-yl]-4-[4-(N-phenylanilino)phenyl]naphthalen-1-amine
SMILESCc1cccc(N(c2ccccc2)c2ccc(-c3ccc4c(-c5cccc6c(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)ccc(N)c56)cccc4c3)cc2)c1
InChIInChI=1S/C57H43N3/c1-40-14-11-22-50(38-40)60(47-20-9-4-10-21-47)49-31-26-41(27-32-49)43-30-35-52-44(39-43)15-12-23-53(52)55-25-13-24-54-51(36-37-56(58)57(54)55)42-28-33-48(34-29-42)59(45-16-5-2-6-17-45)46-18-7-3-8-19-46/h2-39H,58H2,1H3
InChIKeyOECXDBIAJKHTFL-UHFFFAOYSA-N
MW769.99 g/mol
LogP15.82
Rot. Bonds9

About 8-[6-[4-(N-(3-methylphenyl)anilino)phenyl]naphthalen-1-yl]-4-[4-(N-phenylanilino)phenyl]naphthalen-1-amine

8-[6-[4-(N-(3-methylphenyl)anilino)phenyl]naphthalen-1-yl]-4-[4-(N-phenylanilino)phenyl]naphthalen-1-amine (PubChem CID 138655658) has the molecular formula C57H43N3 and a molecular weight of 769.99 g/mol. Its IUPAC name is 8-[6-[4-(N-(3-methylphenyl)anilino)phenyl]naphthalen-1-yl]-4-[4-(N-phenylanilino)phenyl]naphthalen-1-amine.

Molecular Properties

Compound Name8-[6-[4-(N-(3-methylphenyl)anilino)phenyl]naphthalen-1-yl]-4-[4-(N-phenylanilino)phenyl]naphthalen-1-amine
PubChem CID138655658
Molecular FormulaC57H43N3
Molecular Weight769.99 g/mol
Exact Mass769.35
IUPAC Name8-[6-[4-(N-(3-methylphenyl)anilino)phenyl]naphthalen-1-yl]-4-[4-(N-phenylanilino)phenyl]naphthalen-1-amine
SMILESCc1cccc(N(c2ccccc2)c2ccc(-c3ccc4c(-c5cccc6c(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)ccc(N)c56)cccc4c3)cc2)c1
InChIInChI=1S/C57H43N3/c1-40-14-11-22-50(38-40)60(47-20-9-4-10-21-47)49-31-26-41(27-32-49)43-30-35-52-44(39-43)15-12-23-53(52)55-25-13-24-54-51(36-37-56(58)57(54)55)42-28-33-48(34-29-42)59(45-16-5-2-6-17-45)46-18-7-3-8-19-46/h2-39H,58H2,1H3
InChIKeyOECXDBIAJKHTFL-UHFFFAOYSA-N
XLogP15.82
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.99
LogP ≤ 515.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[4-(N-phenylanilino)phenyl]-8-[6-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]naphthalen-1-amine
CID 118632252
9,9-dimethyl-N-(3-methylphenyl)-N-(4-naphthalen-1-ylphenyl)-7-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-(3-methylphenyl)-N-(4-naphthalen-2-ylphenyl)-7-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-(3-methylphenyl)-7-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 159753254
N-(4-fluoranthen-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-phenanthren-2-ylaniline
CID 169277560
N,N-bis(4-naphthalen-1-ylphenyl)-4-(7-phenylphenanthren-2-yl)aniline
CID 138742492
3-naphthalen-1-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167324009
N-(3-methylphenyl)-6-[4-(N-(3-methylphenyl)anilino)phenyl]-N-phenylpyren-1-amine
CID 118516716
4-[4-[4-[6-[4-(4-naphthalen-2-yl-N-[4-(4-naphthalen-1-ylphenyl)-3-phenylphenyl]anilino)phenyl]naphthalen-1-yl]phenyl]phenyl]-N,N-bis(4-naphthalen-2-ylphenyl)-3-phenylaniline
CID 146496903
3-naphthalen-1-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172502599
4-(5-naphthalen-1-ylanthracen-1-yl)-N,N-diphenylaniline
CID 142716868
3-methyl-N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-N-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 58711214
N,N-bis(4-methylphenyl)-4-naphthalen-1-yl-3-phenylaniline
CID 155377108
3-methyl-N-[4-[4-[N-(3-methylphenyl)-4-[4-[N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N-phenylaniline
CID 100923468

Frequently Asked Questions

What is the IUPAC name of 8-[6-[4-(N-(3-methylphenyl)anilino)phenyl]naphthalen-1-yl]-4-[4-(N-phenylanilino)phenyl]naphthalen-1-amine?
The IUPAC name of 8-[6-[4-(N-(3-methylphenyl)anilino)phenyl]naphthalen-1-yl]-4-[4-(N-phenylanilino)phenyl]naphthalen-1-amine (CID 138655658) is 8-[6-[4-(N-(3-methylphenyl)anilino)phenyl]naphthalen-1-yl]-4-[4-(N-phenylanilino)phenyl]naphthalen-1-amine.
What is the SMILES notation for 8-[6-[4-(N-(3-methylphenyl)anilino)phenyl]naphthalen-1-yl]-4-[4-(N-phenylanilino)phenyl]naphthalen-1-amine?
The canonical SMILES for 8-[6-[4-(N-(3-methylphenyl)anilino)phenyl]naphthalen-1-yl]-4-[4-(N-phenylanilino)phenyl]naphthalen-1-amine is Cc1cccc(N(c2ccccc2)c2ccc(-c3ccc4c(-c5cccc6c(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)ccc(N)c56)cccc4c3)cc2)c1.
What is the InChIKey of 8-[6-[4-(N-(3-methylphenyl)anilino)phenyl]naphthalen-1-yl]-4-[4-(N-phenylanilino)phenyl]naphthalen-1-amine?
The InChIKey is OECXDBIAJKHTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H43N3/c1-40-14-11-22-50(38-40)60(47-20-9-4-10-21-47)49-31-26-41(27-32-49)43-30-35-52-44(39-43)15-12-23-53(52)55-25-13-24-54-51(36-37-56(58)57(54)55)42-28-33-48(34-29-42)59(45-16-5-2-6-17-45)46-18-7-3-8-19-46/h2-39H,58H2,1H3.
What are the key properties of 8-[6-[4-(N-(3-methylphenyl)anilino)phenyl]naphthalen-1-yl]-4-[4-(N-phenylanilino)phenyl]naphthalen-1-amine?
8-[6-[4-(N-(3-methylphenyl)anilino)phenyl]naphthalen-1-yl]-4-[4-(N-phenylanilino)phenyl]naphthalen-1-amine has a molecular weight of 769.99 g/mol, XLogP of 15.82, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-[4-(N-(3-methylphenyl)anilino)phenyl]naphthalen-1-yl]-4-[4-(N-phenylanilino)phenyl]naphthalen-1-amine is sourced from PubChem (CID 138655658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).