N-[3-(3-tert-butyl-1-benzofuran-2-yl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine

C38H31NO — CID 170400913

IUPACN-[3-(3-tert-butyl-1-benzofuran-2-yl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
SMILESCC(C)(C)c1c(-c2cccc(N(c3cccc4ccccc34)c3cccc4ccccc34)c2)oc2ccccc12
InChIInChI=1S/C38H31NO/c1-38(2,3)36-32-21-8-9-24-35(32)40-37(36)28-17-10-18-29(25-28)39(33-22-11-15-26-13-4-6-19-30(26)33)34-23-12-16-27-14-5-7-20-31(27)34/h4-25H,1-3H3
InChIKeyHWVUVMLSHJFGNN-UHFFFAOYSA-N
MW517.67 g/mol
LogP11.17
Rot. Bonds4

About N-[3-(3-tert-butyl-1-benzofuran-2-yl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine

N-[3-(3-tert-butyl-1-benzofuran-2-yl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine (PubChem CID 170400913) has the molecular formula C38H31NO and a molecular weight of 517.67 g/mol. Its IUPAC name is N-[3-(3-tert-butyl-1-benzofuran-2-yl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[3-(3-tert-butyl-1-benzofuran-2-yl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
PubChem CID170400913
Molecular FormulaC38H31NO
Molecular Weight517.67 g/mol
Exact Mass517.24
IUPAC NameN-[3-(3-tert-butyl-1-benzofuran-2-yl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
SMILESCC(C)(C)c1c(-c2cccc(N(c3cccc4ccccc34)c3cccc4ccccc34)c2)oc2ccccc12
InChIInChI=1S/C38H31NO/c1-38(2,3)36-32-21-8-9-24-35(32)40-37(36)28-17-10-18-29(25-28)39(33-22-11-15-26-13-4-6-19-30(26)33)34-23-12-16-27-14-5-7-20-31(27)34/h4-25H,1-3H3
InChIKeyHWVUVMLSHJFGNN-UHFFFAOYSA-N
XLogP11.17
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.67
LogP ≤ 511.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[3-(3-tert-butyl-1-benzofuran-2-yl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine 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

3-(3-tert-butyl-1-benzofuran-2-yl)-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170401079
N-phenyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]naphthalen-1-amine
CID 170400225
N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 170526453
N-[3-[2-[dibenzofuran-4-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-4-amine
CID 167086574
N-naphthalen-1-yl-N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine
CID 174256672
N-phenyl-N-[2-(3-phenyl-1-benzofuran-2-yl)phenyl]naphthalen-1-amine
CID 170526305
N-phenyl-N-[3-(8-phenyldibenzofuran-2-yl)phenyl]naphthalen-1-amine
CID 121296588
N-[3-(1-benzofuran-2-yl)phenyl]-N-naphthalen-1-ylphenanthren-9-amine
CID 170398760
N,N-dinaphthalen-1-ylnaphtho[1,2-b][1]benzofuran-2-amine
CID 167277467
N-[2-[2-[dibenzofuran-3-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine
CID 167087101
3-(3-methyl-1-benzofuran-2-yl)-N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 170400441
8-N,22-N-di(dibenzofuran-3-yl)-8-N,22-N-dinaphthalen-1-yl-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine
CID 165046375

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-tert-butyl-1-benzofuran-2-yl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine?
The IUPAC name of N-[3-(3-tert-butyl-1-benzofuran-2-yl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine (CID 170400913) is N-[3-(3-tert-butyl-1-benzofuran-2-yl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine.
What is the SMILES notation for N-[3-(3-tert-butyl-1-benzofuran-2-yl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine?
The canonical SMILES for N-[3-(3-tert-butyl-1-benzofuran-2-yl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine is CC(C)(C)c1c(-c2cccc(N(c3cccc4ccccc34)c3cccc4ccccc34)c2)oc2ccccc12.
What is the InChIKey of N-[3-(3-tert-butyl-1-benzofuran-2-yl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine?
The InChIKey is HWVUVMLSHJFGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H31NO/c1-38(2,3)36-32-21-8-9-24-35(32)40-37(36)28-17-10-18-29(25-28)39(33-22-11-15-26-13-4-6-19-30(26)33)34-23-12-16-27-14-5-7-20-31(27)34/h4-25H,1-3H3.
What are the key properties of N-[3-(3-tert-butyl-1-benzofuran-2-yl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine?
N-[3-(3-tert-butyl-1-benzofuran-2-yl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine has a molecular weight of 517.67 g/mol, XLogP of 11.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-tert-butyl-1-benzofuran-2-yl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine is sourced from PubChem (CID 170400913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).