3-N-(4-butan-2-ylphenyl)-3-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,3-diamine

C38H34N2 — CID 59747058

IUPAC3-N-(4-butan-2-ylphenyl)-3-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,3-diamine
SMILESCCC(C)c1ccc(N(c2cccc(N(c3ccccc3)c3ccccc3)c2)c2cccc3ccccc23)cc1
InChIInChI=1S/C38H34N2/c1-3-29(2)30-24-26-34(27-25-30)40(38-23-12-15-31-14-10-11-22-37(31)38)36-21-13-20-35(28-36)39(32-16-6-4-7-17-32)33-18-8-5-9-19-33/h4-29H,3H2,1-2H3
InChIKeyPDNTUQGXOXXPPD-UHFFFAOYSA-N
MW518.70 g/mol
LogP11.29
Rot. Bonds8

About 3-N-(4-butan-2-ylphenyl)-3-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,3-diamine

3-N-(4-butan-2-ylphenyl)-3-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,3-diamine (PubChem CID 59747058) has the molecular formula C38H34N2 and a molecular weight of 518.70 g/mol. Its IUPAC name is 3-N-(4-butan-2-ylphenyl)-3-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(4-butan-2-ylphenyl)-3-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,3-diamine
PubChem CID59747058
Molecular FormulaC38H34N2
Molecular Weight518.70 g/mol
Exact Mass518.27
IUPAC Name3-N-(4-butan-2-ylphenyl)-3-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,3-diamine
SMILESCCC(C)c1ccc(N(c2cccc(N(c3ccccc3)c3ccccc3)c2)c2cccc3ccccc23)cc1
InChIInChI=1S/C38H34N2/c1-3-29(2)30-24-26-34(27-25-30)40(38-23-12-15-31-14-10-11-22-37(31)38)36-21-13-20-35(28-36)39(32-16-6-4-7-17-32)33-18-8-5-9-19-33/h4-29H,3H2,1-2H3
InChIKeyPDNTUQGXOXXPPD-UHFFFAOYSA-N
XLogP11.29
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.70
LogP ≤ 511.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-N-(4-butan-2-ylphenyl)-3-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,3-diamine with MolForge

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Related Compounds

4-N-(4-butan-2-ylphenyl)-1-N,4-N-dinaphthalen-1-yl-1-N-(4-phenylphenyl)benzene-1,4-diamine;4-N-(4-butan-2-ylphenyl)-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine;4-N-(4-butan-2-ylphenyl)-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 90967066
1-N,5-N-bis(4-butan-2-ylphenyl)-1-N,5-N-bis(4-phenylphenyl)naphthalene-1,5-diamine
CID 58426696
4-N-[4-(4,4-dimethylpentan-2-yl)phenyl]-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine
CID 143268218
9-[(4-butan-2-ylphenyl)methyl]-9-methyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 154603864
N-(4-butan-2-ylphenyl)-N-[4-(3-methylpentan-3-yl)phenyl]naphthalen-1-amine
CID 70901590
4-N-naphthalen-1-yl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 22218375
1-N-[4-[4-(N-naphthalen-1-ylanilino)-N-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]-1-N,4-N,4-N-tris[4-(N-naphthalen-1-ylanilino)phenyl]benzene-1,4-diamine
CID 122607218
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 87744556
4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-1-ylanilino)phenyl]-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 58598982
N,N-diphenylaniline;N,N-diphenylnaphthalen-1-amine;N,N-diphenylnaphthalen-2-amine;ethane;N-naphthalen-1-yl-N-phenylnaphthalen-1-amine;N-naphthalen-1-yl-N-phenylnaphthalen-2-amine;N-naphthalen-2-yl-N-phenylnaphthalen-2-amine
CID 161430896
N-(4-butan-2-ylphenyl)-3-methyl-N-phenylaniline;methane
CID 159095466
N,N-diphenylnaphthalen-1-amine
CID 11392281

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-butan-2-ylphenyl)-3-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,3-diamine?
The IUPAC name of 3-N-(4-butan-2-ylphenyl)-3-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,3-diamine (CID 59747058) is 3-N-(4-butan-2-ylphenyl)-3-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-(4-butan-2-ylphenyl)-3-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,3-diamine?
The canonical SMILES for 3-N-(4-butan-2-ylphenyl)-3-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,3-diamine is CCC(C)c1ccc(N(c2cccc(N(c3ccccc3)c3ccccc3)c2)c2cccc3ccccc23)cc1.
What is the InChIKey of 3-N-(4-butan-2-ylphenyl)-3-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,3-diamine?
The InChIKey is PDNTUQGXOXXPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34N2/c1-3-29(2)30-24-26-34(27-25-30)40(38-23-12-15-31-14-10-11-22-37(31)38)36-21-13-20-35(28-36)39(32-16-6-4-7-17-32)33-18-8-5-9-19-33/h4-29H,3H2,1-2H3.
What are the key properties of 3-N-(4-butan-2-ylphenyl)-3-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,3-diamine?
3-N-(4-butan-2-ylphenyl)-3-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,3-diamine has a molecular weight of 518.70 g/mol, XLogP of 11.29, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-butan-2-ylphenyl)-3-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,3-diamine is sourced from PubChem (CID 59747058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).