N-(4-naphthalen-1-ylnaphthalen-1-yl)-2-phenyl-N-(2-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzothiazol-8-amine

C51H32N2OS — CID 167127986

IUPACN-(4-naphthalen-1-ylnaphthalen-1-yl)-2-phenyl-N-(2-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzothiazol-8-amine
SMILESc1ccc(-c2nc3cc4c(cc3s2)oc2c(N(c3ccccc3-c3ccccc3)c3ccc(-c5cccc6ccccc56)c5ccccc35)cccc24)cc1
InChIInChI=1S/C51H32N2OS/c1-3-15-34(16-4-1)37-22-11-12-27-45(37)53(46-30-29-40(39-23-9-10-24-41(39)46)38-25-13-20-33-17-7-8-21-36(33)38)47-28-14-26-42-43-31-44-49(32-48(43)54-50(42)47)55-51(52-44)35-18-5-2-6-19-35/h1-32H
InChIKeyAUAOETRWUVCKDX-UHFFFAOYSA-N
MW720.90 g/mol
LogP14.97
Rot. Bonds6

About N-(4-naphthalen-1-ylnaphthalen-1-yl)-2-phenyl-N-(2-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzothiazol-8-amine

N-(4-naphthalen-1-ylnaphthalen-1-yl)-2-phenyl-N-(2-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzothiazol-8-amine (PubChem CID 167127986) has the molecular formula C51H32N2OS and a molecular weight of 720.90 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylnaphthalen-1-yl)-2-phenyl-N-(2-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzothiazol-8-amine.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylnaphthalen-1-yl)-2-phenyl-N-(2-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzothiazol-8-amine
PubChem CID167127986
Molecular FormulaC51H32N2OS
Molecular Weight720.90 g/mol
Exact Mass720.22
IUPAC NameN-(4-naphthalen-1-ylnaphthalen-1-yl)-2-phenyl-N-(2-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzothiazol-8-amine
SMILESc1ccc(-c2nc3cc4c(cc3s2)oc2c(N(c3ccccc3-c3ccccc3)c3ccc(-c5cccc6ccccc56)c5ccccc35)cccc24)cc1
InChIInChI=1S/C51H32N2OS/c1-3-15-34(16-4-1)37-22-11-12-27-45(37)53(46-30-29-40(39-23-9-10-24-41(39)46)38-25-13-20-33-17-7-8-21-36(33)38)47-28-14-26-42-43-31-44-49(32-48(43)54-50(42)47)55-51(52-44)35-18-5-2-6-19-35/h1-32H
InChIKeyAUAOETRWUVCKDX-UHFFFAOYSA-N
XLogP14.97
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.90
LogP ≤ 514.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(4-naphthalen-1-ylnaphthalen-1-yl)-2-phenyl-N-(2-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzothiazol-8-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

4-naphthalen-1-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-8-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine
CID 167130187
N,N-bis(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-8-amine
CID 167129483
N-dibenzofuran-4-yl-5-naphthalen-1-yl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 155423485
N-(3,4-diphenylphenyl)-N-naphthalen-2-yl-2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-5-amine
CID 167129022
N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzothiazol-8-amine
CID 167123381
N-(2-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzoxazol-8-amine
CID 167127217
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazole
CID 167127130
N-naphtho[1,2-b][1]benzothiol-5-yl-N-(2-phenylphenyl)dibenzofuran-4-amine
CID 90263491
N-(2-naphthalen-1-ylphenyl)-4-phenyl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069373
N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 174275436
N-dibenzothiophen-1-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-4-amine
CID 167234079
N-dibenzothiophen-4-yl-N-[2-[2-(2-phenyl-N-(4-phenylnaphthalen-1-yl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 167086567

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylnaphthalen-1-yl)-2-phenyl-N-(2-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzothiazol-8-amine?
The IUPAC name of N-(4-naphthalen-1-ylnaphthalen-1-yl)-2-phenyl-N-(2-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzothiazol-8-amine (CID 167127986) is N-(4-naphthalen-1-ylnaphthalen-1-yl)-2-phenyl-N-(2-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzothiazol-8-amine.
What is the SMILES notation for N-(4-naphthalen-1-ylnaphthalen-1-yl)-2-phenyl-N-(2-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzothiazol-8-amine?
The canonical SMILES for N-(4-naphthalen-1-ylnaphthalen-1-yl)-2-phenyl-N-(2-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzothiazol-8-amine is c1ccc(-c2nc3cc4c(cc3s2)oc2c(N(c3ccccc3-c3ccccc3)c3ccc(-c5cccc6ccccc56)c5ccccc35)cccc24)cc1.
What is the InChIKey of N-(4-naphthalen-1-ylnaphthalen-1-yl)-2-phenyl-N-(2-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzothiazol-8-amine?
The InChIKey is AUAOETRWUVCKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N2OS/c1-3-15-34(16-4-1)37-22-11-12-27-45(37)53(46-30-29-40(39-23-9-10-24-41(39)46)38-25-13-20-33-17-7-8-21-36(33)38)47-28-14-26-42-43-31-44-49(32-48(43)54-50(42)47)55-51(52-44)35-18-5-2-6-19-35/h1-32H.
What are the key properties of N-(4-naphthalen-1-ylnaphthalen-1-yl)-2-phenyl-N-(2-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzothiazol-8-amine?
N-(4-naphthalen-1-ylnaphthalen-1-yl)-2-phenyl-N-(2-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzothiazol-8-amine has a molecular weight of 720.90 g/mol, XLogP of 14.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-ylnaphthalen-1-yl)-2-phenyl-N-(2-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzothiazol-8-amine is sourced from PubChem (CID 167127986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).