N-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-N-phenyldibenzofuran-4-amine

C40H25NOS — CID 170040170

IUPACN-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-N-phenyldibenzofuran-4-amine
SMILESc1ccc(N(c2ccc(-c3ccc4c(ccc5sc6ccccc6c54)c3)cc2)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C40H25NOS/c1-2-9-29(10-3-1)41(35-14-8-13-33-32-11-4-6-15-36(32)42-40(33)35)30-21-17-26(18-22-30)27-19-23-31-28(25-27)20-24-38-39(31)34-12-5-7-16-37(34)43-38/h1-25H
InChIKeyKBRAXPDHNMDOIW-UHFFFAOYSA-N
MW567.71 g/mol
LogP12.24
Rot. Bonds4

About N-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-N-phenyldibenzofuran-4-amine

N-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-N-phenyldibenzofuran-4-amine (PubChem CID 170040170) has the molecular formula C40H25NOS and a molecular weight of 567.71 g/mol. Its IUPAC name is N-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-N-phenyldibenzofuran-4-amine.

Molecular Properties

Compound NameN-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-N-phenyldibenzofuran-4-amine
PubChem CID170040170
Molecular FormulaC40H25NOS
Molecular Weight567.71 g/mol
Exact Mass567.17
IUPAC NameN-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-N-phenyldibenzofuran-4-amine
SMILESc1ccc(N(c2ccc(-c3ccc4c(ccc5sc6ccccc6c54)c3)cc2)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C40H25NOS/c1-2-9-29(10-3-1)41(35-14-8-13-33-32-11-4-6-15-36(32)42-40(33)35)30-21-17-26(18-22-30)27-19-23-31-28(25-27)20-24-38-39(31)34-12-5-7-16-37(34)43-38/h1-25H
InChIKeyKBRAXPDHNMDOIW-UHFFFAOYSA-N
XLogP12.24
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.71
LogP ≤ 512.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-N-phenyldibenzofuran-4-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

N-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-N-phenyldibenzofuran-1-amine
CID 170040172
N-(3-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-3-amine
CID 170039767
N-dibenzothiophen-3-yl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 163957586
8-(8-dibenzofuran-2-yldibenzothiophen-1-yl)-N,N-diphenyldibenzofuran-4-amine
CID 174244486
N-(4-methylphenyl)-N-naphtho[2,1-b][1]benzothiol-9-yldibenzofuran-4-amine
CID 90263564
N-(4-dibenzofuran-4-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzothiol-2-amine
CID 170039350
N-dibenzofuran-2-yl-N,3-diphenylnaphtho[2,1-b][1]benzofuran-8-amine
CID 177131058
2-N-dibenzothiophen-1-yl-2-N-phenyl-4-N,4-N-bis(4-phenylphenyl)dibenzofuran-2,4-diamine
CID 170044035
N-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-N,2-bis(4-phenylphenyl)aniline
CID 170037663
N-(3-phenylphenyl)-N-[3-[3-(4-phenyl-N-(6-phenylnaphthalen-2-yl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 167086684
N-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 165040443
N-dibenzothiophen-1-yl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-3-amine
CID 170039707

Frequently Asked Questions

What is the IUPAC name of N-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-N-phenyldibenzofuran-4-amine?
The IUPAC name of N-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-N-phenyldibenzofuran-4-amine (CID 170040170) is N-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-N-phenyldibenzofuran-4-amine.
What is the SMILES notation for N-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-N-phenyldibenzofuran-4-amine?
The canonical SMILES for N-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-N-phenyldibenzofuran-4-amine is c1ccc(N(c2ccc(-c3ccc4c(ccc5sc6ccccc6c54)c3)cc2)c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of N-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-N-phenyldibenzofuran-4-amine?
The InChIKey is KBRAXPDHNMDOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25NOS/c1-2-9-29(10-3-1)41(35-14-8-13-33-32-11-4-6-15-36(32)42-40(33)35)30-21-17-26(18-22-30)27-19-23-31-28(25-27)20-24-38-39(31)34-12-5-7-16-37(34)43-38/h1-25H.
What are the key properties of N-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-N-phenyldibenzofuran-4-amine?
N-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-N-phenyldibenzofuran-4-amine has a molecular weight of 567.71 g/mol, XLogP of 12.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-N-phenyldibenzofuran-4-amine is sourced from PubChem (CID 170040170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).