ethane;4-phenyl-N-(4-phenylnaphthalen-1-yl)naphthalen-1-amine

C34H29N — CID 145272952

IUPACethane;4-phenyl-N-(4-phenylnaphthalen-1-yl)naphthalen-1-amine
SMILESCC.c1ccc(-c2ccc(Nc3ccc(-c4ccccc4)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C32H23N.C2H6/c1-3-11-23(12-4-1)25-19-21-31(29-17-9-7-15-27(25)29)33-32-22-20-26(24-13-5-2-6-14-24)28-16-8-10-18-30(28)32;1-2/h1-22,33H;1-2H3
InChIKeyOYMVKJHLFQBGJK-UHFFFAOYSA-N
MW451.61 g/mol
LogP10.10
Rot. Bonds4

About ethane;4-phenyl-N-(4-phenylnaphthalen-1-yl)naphthalen-1-amine

ethane;4-phenyl-N-(4-phenylnaphthalen-1-yl)naphthalen-1-amine (PubChem CID 145272952) has the molecular formula C34H29N and a molecular weight of 451.61 g/mol. Its IUPAC name is ethane;4-phenyl-N-(4-phenylnaphthalen-1-yl)naphthalen-1-amine.

Molecular Properties

Compound Nameethane;4-phenyl-N-(4-phenylnaphthalen-1-yl)naphthalen-1-amine
PubChem CID145272952
Molecular FormulaC34H29N
Molecular Weight451.61 g/mol
Exact Mass451.23
IUPAC Nameethane;4-phenyl-N-(4-phenylnaphthalen-1-yl)naphthalen-1-amine
SMILESCC.c1ccc(-c2ccc(Nc3ccc(-c4ccccc4)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C32H23N.C2H6/c1-3-11-23(12-4-1)25-19-21-31(29-17-9-7-15-27(25)29)33-32-22-20-26(24-13-5-2-6-14-24)28-16-8-10-18-30(28)32;1-2/h1-22,33H;1-2H3
InChIKeyOYMVKJHLFQBGJK-UHFFFAOYSA-N
XLogP10.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.61
LogP ≤ 510.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-anilinonaphthalen-1-yl)phenol
CID 145157968
1-N,4-N-diphenylnaphthalene-1,4-diamine
CID 21408089
1-N,2-N-bis(2-phenylphenyl)benzene-1,2-diamine
CID 22968504
ethane;methanethiol;N-(4-naphthalen-1-ylphenyl)-2,4-diphenylaniline
CID 145442322
4-[3,5-bis(trifluoromethyl)phenyl]-N-[4-[3,5-bis(trifluoromethyl)phenyl]naphthalen-1-yl]naphthalen-1-amine
CID 162717087
5-naphthalen-1-yl-N,2-diphenylaniline
CID 175302178
benzene;N,2-diphenylaniline
CID 175029921
5-methyl-N-(5-methyl-2-phenylphenyl)-2-phenylaniline
CID 18332092
N-(2,5-diphenylphenyl)naphthalen-1-amine
CID 174398533
2-[2-(4-naphthalen-1-ylanilino)phenyl]-N-(4-phenylphenyl)aniline
CID 139322198
1-N-naphthalen-1-yl-2-N-[2-(naphthalen-1-ylamino)-3,6-diphenylphenyl]-3,6-diphenylbenzene-1,2-diamine
CID 175869356
2-phenanthren-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]aniline
CID 168764813

Frequently Asked Questions

What is the IUPAC name of ethane;4-phenyl-N-(4-phenylnaphthalen-1-yl)naphthalen-1-amine?
The IUPAC name of ethane;4-phenyl-N-(4-phenylnaphthalen-1-yl)naphthalen-1-amine (CID 145272952) is ethane;4-phenyl-N-(4-phenylnaphthalen-1-yl)naphthalen-1-amine.
What is the SMILES notation for ethane;4-phenyl-N-(4-phenylnaphthalen-1-yl)naphthalen-1-amine?
The canonical SMILES for ethane;4-phenyl-N-(4-phenylnaphthalen-1-yl)naphthalen-1-amine is CC.c1ccc(-c2ccc(Nc3ccc(-c4ccccc4)c4ccccc34)c3ccccc23)cc1.
What is the InChIKey of ethane;4-phenyl-N-(4-phenylnaphthalen-1-yl)naphthalen-1-amine?
The InChIKey is OYMVKJHLFQBGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23N.C2H6/c1-3-11-23(12-4-1)25-19-21-31(29-17-9-7-15-27(25)29)33-32-22-20-26(24-13-5-2-6-14-24)28-16-8-10-18-30(28)32;1-2/h1-22,33H;1-2H3.
What are the key properties of ethane;4-phenyl-N-(4-phenylnaphthalen-1-yl)naphthalen-1-amine?
ethane;4-phenyl-N-(4-phenylnaphthalen-1-yl)naphthalen-1-amine has a molecular weight of 451.61 g/mol, XLogP of 10.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-phenyl-N-(4-phenylnaphthalen-1-yl)naphthalen-1-amine is sourced from PubChem (CID 145272952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).