6-(1-benzofuran-2-yl)-N-(4-tert-butylphenyl)-N-(4-methylphenyl)naphthalen-2-amine

C35H31NO — CID 171422549

IUPAC6-(1-benzofuran-2-yl)-N-(4-tert-butylphenyl)-N-(4-methylphenyl)naphthalen-2-amine
SMILESCc1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3cc(-c4cc5ccccc5o4)ccc3c2)cc1
InChIInChI=1S/C35H31NO/c1-24-9-16-30(17-10-24)36(31-19-14-29(15-20-31)35(2,3)4)32-18-13-25-21-28(12-11-26(25)22-32)34-23-27-7-5-6-8-33(27)37-34/h5-23H,1-4H3
InChIKeyVWZNRKGJSDFKTB-UHFFFAOYSA-N
MW481.64 g/mol
LogP10.33
Rot. Bonds4

About 6-(1-benzofuran-2-yl)-N-(4-tert-butylphenyl)-N-(4-methylphenyl)naphthalen-2-amine

6-(1-benzofuran-2-yl)-N-(4-tert-butylphenyl)-N-(4-methylphenyl)naphthalen-2-amine (PubChem CID 171422549) has the molecular formula C35H31NO and a molecular weight of 481.64 g/mol. Its IUPAC name is 6-(1-benzofuran-2-yl)-N-(4-tert-butylphenyl)-N-(4-methylphenyl)naphthalen-2-amine.

Molecular Properties

Compound Name6-(1-benzofuran-2-yl)-N-(4-tert-butylphenyl)-N-(4-methylphenyl)naphthalen-2-amine
PubChem CID171422549
Molecular FormulaC35H31NO
Molecular Weight481.64 g/mol
Exact Mass481.24
IUPAC Name6-(1-benzofuran-2-yl)-N-(4-tert-butylphenyl)-N-(4-methylphenyl)naphthalen-2-amine
SMILESCc1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3cc(-c4cc5ccccc5o4)ccc3c2)cc1
InChIInChI=1S/C35H31NO/c1-24-9-16-30(17-10-24)36(31-19-14-29(15-20-31)35(2,3)4)32-18-13-25-21-28(12-11-26(25)22-32)34-23-27-7-5-6-8-33(27)37-34/h5-23H,1-4H3
InChIKeyVWZNRKGJSDFKTB-UHFFFAOYSA-N
XLogP10.33
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.64
LogP ≤ 510.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
CID 170398550
6-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 170400574
N,N-bis[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]naphthalen-2-amine;N,N-bis[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-4-phenylaniline
CID 165085656
N-[6-[3-(1-benzofuran-2-yl)phenyl]naphthalen-2-yl]-N-(4-phenylphenyl)phenanthren-2-amine
CID 170400610
N-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-phenylaniline
CID 170398637
N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-4-phenylaniline;N,N-bis[4-(1-benzofuran-2-yl)phenyl]-4-naphthalen-2-ylaniline;N,N-bis[4-(1-benzofuran-2-yl)phenyl]-4-(4-naphthalen-2-ylphenyl)aniline;N,4-bis[4-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline
CID 165046109
N-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]naphthalen-2-amine
CID 170398542
3-(1-benzofuran-2-yl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 170402049
3-(1-benzofuran-2-yl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline
CID 170402040
16-(4-tert-butylphenyl)-N-(4-methylphenyl)-N-phenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166032395
3-N,3-N-bis[3-(1-benzofuran-2-yl)phenyl]-5-tert-butyl-1-N,1-N-bis(4-tert-butylphenyl)-2-chlorobenzene-1,3-diamine
CID 171429946
N-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-2-amine
CID 170398533

Frequently Asked Questions

What is the IUPAC name of 6-(1-benzofuran-2-yl)-N-(4-tert-butylphenyl)-N-(4-methylphenyl)naphthalen-2-amine?
The IUPAC name of 6-(1-benzofuran-2-yl)-N-(4-tert-butylphenyl)-N-(4-methylphenyl)naphthalen-2-amine (CID 171422549) is 6-(1-benzofuran-2-yl)-N-(4-tert-butylphenyl)-N-(4-methylphenyl)naphthalen-2-amine.
What is the SMILES notation for 6-(1-benzofuran-2-yl)-N-(4-tert-butylphenyl)-N-(4-methylphenyl)naphthalen-2-amine?
The canonical SMILES for 6-(1-benzofuran-2-yl)-N-(4-tert-butylphenyl)-N-(4-methylphenyl)naphthalen-2-amine is Cc1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3cc(-c4cc5ccccc5o4)ccc3c2)cc1.
What is the InChIKey of 6-(1-benzofuran-2-yl)-N-(4-tert-butylphenyl)-N-(4-methylphenyl)naphthalen-2-amine?
The InChIKey is VWZNRKGJSDFKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H31NO/c1-24-9-16-30(17-10-24)36(31-19-14-29(15-20-31)35(2,3)4)32-18-13-25-21-28(12-11-26(25)22-32)34-23-27-7-5-6-8-33(27)37-34/h5-23H,1-4H3.
What are the key properties of 6-(1-benzofuran-2-yl)-N-(4-tert-butylphenyl)-N-(4-methylphenyl)naphthalen-2-amine?
6-(1-benzofuran-2-yl)-N-(4-tert-butylphenyl)-N-(4-methylphenyl)naphthalen-2-amine has a molecular weight of 481.64 g/mol, XLogP of 10.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzofuran-2-yl)-N-(4-tert-butylphenyl)-N-(4-methylphenyl)naphthalen-2-amine is sourced from PubChem (CID 171422549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).