3-N,3-N-bis[4-(4-ethylphenyl)phenyl]naphthalene-1,3-diamine

C38H34N2 — CID 70144205

IUPAC3-N,3-N-bis[4-(4-ethylphenyl)phenyl]naphthalene-1,3-diamine
SMILESCCc1ccc(-c2ccc(N(c3ccc(-c4ccc(CC)cc4)cc3)c3cc(N)c4ccccc4c3)cc2)cc1
InChIInChI=1S/C38H34N2/c1-3-27-9-13-29(14-10-27)31-17-21-34(22-18-31)40(36-25-33-7-5-6-8-37(33)38(39)26-36)35-23-19-32(20-24-35)30-15-11-28(4-2)12-16-30/h5-26H,3-4,39H2,1-2H3
InChIKeyFAMNDDQTLIYLTO-UHFFFAOYSA-N
MW518.70 g/mol
LogP10.35
Rot. Bonds7

About 3-N,3-N-bis[4-(4-ethylphenyl)phenyl]naphthalene-1,3-diamine

3-N,3-N-bis[4-(4-ethylphenyl)phenyl]naphthalene-1,3-diamine (PubChem CID 70144205) has the molecular formula C38H34N2 and a molecular weight of 518.70 g/mol. Its IUPAC name is 3-N,3-N-bis[4-(4-ethylphenyl)phenyl]naphthalene-1,3-diamine.

Molecular Properties

Compound Name3-N,3-N-bis[4-(4-ethylphenyl)phenyl]naphthalene-1,3-diamine
PubChem CID70144205
Molecular FormulaC38H34N2
Molecular Weight518.70 g/mol
Exact Mass518.27
IUPAC Name3-N,3-N-bis[4-(4-ethylphenyl)phenyl]naphthalene-1,3-diamine
SMILESCCc1ccc(-c2ccc(N(c3ccc(-c4ccc(CC)cc4)cc3)c3cc(N)c4ccccc4c3)cc2)cc1
InChIInChI=1S/C38H34N2/c1-3-27-9-13-29(14-10-27)31-17-21-34(22-18-31)40(36-25-33-7-5-6-8-37(33)38(39)26-36)35-23-19-32(20-24-35)30-15-11-28(4-2)12-16-30/h5-26H,3-4,39H2,1-2H3
InChIKeyFAMNDDQTLIYLTO-UHFFFAOYSA-N
XLogP10.35
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.70
LogP ≤ 510.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-N,3-N-bis[4-(4-ethylphenyl)phenyl]naphthalene-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethyl-N-[4-[4-[4-(4-ethyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121323857
N-(4-ethylphenyl)-N-phenylnaphthalen-2-amine
CID 15445670
N,N-bis(4-phenylphenyl)chrysen-2-amine
CID 164748030
N,N-bis(4-ethylphenyl)fluoranthen-2-amine
CID 139765595
N,N,4-tris(4-anthracen-9-ylphenyl)aniline
CID 58383816
4-(4-anthracen-9-ylphenyl)-N,N-bis[4-(4-anthracen-9-ylphenyl)phenyl]aniline
CID 58383851
1-N,1-N,4-N,4-N-tetrakis(4-ethylphenyl)benzene-1,4-diamine
CID 58862530
N,N-bis(4-phenanthren-2-ylphenyl)-4-phenylaniline
CID 135299389
N,N-bis[4-(4-phenanthren-2-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 135299426
N-phenanthren-2-yl-N-(4-phenylphenyl)chrysen-3-amine
CID 170135801
N-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[g]phenanthren-3-amine
CID 167181851
N-(4-ethylphenyl)-4-methyl-N-phenylaniline
CID 58800452

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-bis[4-(4-ethylphenyl)phenyl]naphthalene-1,3-diamine?
The IUPAC name of 3-N,3-N-bis[4-(4-ethylphenyl)phenyl]naphthalene-1,3-diamine (CID 70144205) is 3-N,3-N-bis[4-(4-ethylphenyl)phenyl]naphthalene-1,3-diamine.
What is the SMILES notation for 3-N,3-N-bis[4-(4-ethylphenyl)phenyl]naphthalene-1,3-diamine?
The canonical SMILES for 3-N,3-N-bis[4-(4-ethylphenyl)phenyl]naphthalene-1,3-diamine is CCc1ccc(-c2ccc(N(c3ccc(-c4ccc(CC)cc4)cc3)c3cc(N)c4ccccc4c3)cc2)cc1.
What is the InChIKey of 3-N,3-N-bis[4-(4-ethylphenyl)phenyl]naphthalene-1,3-diamine?
The InChIKey is FAMNDDQTLIYLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34N2/c1-3-27-9-13-29(14-10-27)31-17-21-34(22-18-31)40(36-25-33-7-5-6-8-37(33)38(39)26-36)35-23-19-32(20-24-35)30-15-11-28(4-2)12-16-30/h5-26H,3-4,39H2,1-2H3.
What are the key properties of 3-N,3-N-bis[4-(4-ethylphenyl)phenyl]naphthalene-1,3-diamine?
3-N,3-N-bis[4-(4-ethylphenyl)phenyl]naphthalene-1,3-diamine has a molecular weight of 518.70 g/mol, XLogP of 10.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-bis[4-(4-ethylphenyl)phenyl]naphthalene-1,3-diamine is sourced from PubChem (CID 70144205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).