N,4-diphenyl-N-[4-[4-(9-phenylnaphtho[1,2-b][1]benzothiol-7-yl)quinazolin-2-yl]phenyl]aniline

C54H35N3S — CID 166511628

IUPACN,4-diphenyl-N-[4-[4-(9-phenylnaphtho[1,2-b][1]benzothiol-7-yl)quinazolin-2-yl]phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4nc(-c5cc(-c6ccccc6)cc6sc7c8ccccc8ccc7c56)c5ccccc5n4)cc3)cc2)cc1
InChIInChI=1S/C54H35N3S/c1-4-14-36(15-5-1)38-24-29-43(30-25-38)57(42-19-8-3-9-20-42)44-31-26-40(27-32-44)54-55-49-23-13-12-22-46(49)52(56-54)48-34-41(37-16-6-2-7-17-37)35-50-51(48)47-33-28-39-18-10-11-21-45(39)53(47)58-50/h1-35H
InChIKeyJACDYRRHUNOUIT-UHFFFAOYSA-N
MW757.96 g/mol
LogP15.29
Rot. Bonds7

About N,4-diphenyl-N-[4-[4-(9-phenylnaphtho[1,2-b][1]benzothiol-7-yl)quinazolin-2-yl]phenyl]aniline

N,4-diphenyl-N-[4-[4-(9-phenylnaphtho[1,2-b][1]benzothiol-7-yl)quinazolin-2-yl]phenyl]aniline (PubChem CID 166511628) has the molecular formula C54H35N3S and a molecular weight of 757.96 g/mol. Its IUPAC name is N,4-diphenyl-N-[4-[4-(9-phenylnaphtho[1,2-b][1]benzothiol-7-yl)quinazolin-2-yl]phenyl]aniline.

Molecular Properties

Compound NameN,4-diphenyl-N-[4-[4-(9-phenylnaphtho[1,2-b][1]benzothiol-7-yl)quinazolin-2-yl]phenyl]aniline
PubChem CID166511628
Molecular FormulaC54H35N3S
Molecular Weight757.96 g/mol
Exact Mass757.26
IUPAC NameN,4-diphenyl-N-[4-[4-(9-phenylnaphtho[1,2-b][1]benzothiol-7-yl)quinazolin-2-yl]phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4nc(-c5cc(-c6ccccc6)cc6sc7c8ccccc8ccc7c56)c5ccccc5n4)cc3)cc2)cc1
InChIInChI=1S/C54H35N3S/c1-4-14-36(15-5-1)38-24-29-43(30-25-38)57(42-19-8-3-9-20-42)44-31-26-40(27-32-44)54-55-49-23-13-12-22-46(49)52(56-54)48-34-41(37-16-6-2-7-17-37)35-50-51(48)47-33-28-39-18-10-11-21-45(39)53(47)58-50/h1-35H
InChIKeyJACDYRRHUNOUIT-UHFFFAOYSA-N
XLogP15.29
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.96
LogP ≤ 515.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,4-diphenyl-N-[4-[4-(9-phenylnaphtho[1,2-b][1]benzothiol-7-yl)quinazolin-2-yl]phenyl]aniline 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-diphenyl-N-[4-[4-(4-phenylquinazolin-2-yl)dibenzothiophen-1-yl]phenyl]aniline
CID 170253269
7-N-phenyl-9-N-(3-phenylphenyl)-7-N,9-N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzothiole-7,9-diamine
CID 166856623
N-[4-(4-naphtho[1,2-b][1]benzofuran-8-ylquinazolin-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 166511371
7-N,7-N,9-N-triphenyl-9-N-(3-phenylphenyl)naphtho[1,2-b][1]benzothiole-7,9-diamine
CID 166856828
N-(3-phenylphenyl)-N-(4-phenylphenyl)-9-(4-phenylquinazolin-2-yl)dibenzothiophen-3-amine
CID 169281011
N-[4-(3-naphtho[2,1-b][1]benzothiol-8-ylphenyl)phenyl]-N,4-diphenylaniline
CID 121261326
3-naphtho[2,1-b][1]benzothiol-8-yl-N,N-bis(4-phenylphenyl)aniline
CID 121323447
1-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 171757058
N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-8-amine
CID 169285320
2-[4-[3-(7,9-diphenyldibenzothiophen-4-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 164838372
4-naphthalen-2-yl-2-(1-naphthalen-2-yldibenzothiophen-3-yl)quinazoline
CID 174328845
N,N-bis[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzothiol-7-amine
CID 170272338

Frequently Asked Questions

What is the IUPAC name of N,4-diphenyl-N-[4-[4-(9-phenylnaphtho[1,2-b][1]benzothiol-7-yl)quinazolin-2-yl]phenyl]aniline?
The IUPAC name of N,4-diphenyl-N-[4-[4-(9-phenylnaphtho[1,2-b][1]benzothiol-7-yl)quinazolin-2-yl]phenyl]aniline (CID 166511628) is N,4-diphenyl-N-[4-[4-(9-phenylnaphtho[1,2-b][1]benzothiol-7-yl)quinazolin-2-yl]phenyl]aniline.
What is the SMILES notation for N,4-diphenyl-N-[4-[4-(9-phenylnaphtho[1,2-b][1]benzothiol-7-yl)quinazolin-2-yl]phenyl]aniline?
The canonical SMILES for N,4-diphenyl-N-[4-[4-(9-phenylnaphtho[1,2-b][1]benzothiol-7-yl)quinazolin-2-yl]phenyl]aniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4nc(-c5cc(-c6ccccc6)cc6sc7c8ccccc8ccc7c56)c5ccccc5n4)cc3)cc2)cc1.
What is the InChIKey of N,4-diphenyl-N-[4-[4-(9-phenylnaphtho[1,2-b][1]benzothiol-7-yl)quinazolin-2-yl]phenyl]aniline?
The InChIKey is JACDYRRHUNOUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3S/c1-4-14-36(15-5-1)38-24-29-43(30-25-38)57(42-19-8-3-9-20-42)44-31-26-40(27-32-44)54-55-49-23-13-12-22-46(49)52(56-54)48-34-41(37-16-6-2-7-17-37)35-50-51(48)47-33-28-39-18-10-11-21-45(39)53(47)58-50/h1-35H.
What are the key properties of N,4-diphenyl-N-[4-[4-(9-phenylnaphtho[1,2-b][1]benzothiol-7-yl)quinazolin-2-yl]phenyl]aniline?
N,4-diphenyl-N-[4-[4-(9-phenylnaphtho[1,2-b][1]benzothiol-7-yl)quinazolin-2-yl]phenyl]aniline has a molecular weight of 757.96 g/mol, XLogP of 15.29, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diphenyl-N-[4-[4-(9-phenylnaphtho[1,2-b][1]benzothiol-7-yl)quinazolin-2-yl]phenyl]aniline is sourced from PubChem (CID 166511628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).