2-naphtho[6,7-b][1]benzothiol-10-yl-4-phenylquinazoline

C30H18N2S — CID 155473706

IUPAC2-naphtho[6,7-b][1]benzothiol-10-yl-4-phenylquinazoline
SMILESc1ccc(-c2nc(-c3cccc4cc5sc6ccccc6c5cc34)nc3ccccc23)cc1
InChIInChI=1S/C30H18N2S/c1-2-9-19(10-3-1)29-23-13-4-6-15-26(23)31-30(32-29)22-14-8-11-20-17-28-25(18-24(20)22)21-12-5-7-16-27(21)33-28/h1-18H
InChIKeyOEZPCQLZVPWJQS-UHFFFAOYSA-N
MW438.56 g/mol
LogP8.48
Rot. Bonds2

About 2-naphtho[6,7-b][1]benzothiol-10-yl-4-phenylquinazoline

2-naphtho[6,7-b][1]benzothiol-10-yl-4-phenylquinazoline (PubChem CID 155473706) has the molecular formula C30H18N2S and a molecular weight of 438.56 g/mol. Its IUPAC name is 2-naphtho[6,7-b][1]benzothiol-10-yl-4-phenylquinazoline.

Molecular Properties

Compound Name2-naphtho[6,7-b][1]benzothiol-10-yl-4-phenylquinazoline
PubChem CID155473706
Molecular FormulaC30H18N2S
Molecular Weight438.56 g/mol
Exact Mass438.12
IUPAC Name2-naphtho[6,7-b][1]benzothiol-10-yl-4-phenylquinazoline
SMILESc1ccc(-c2nc(-c3cccc4cc5sc6ccccc6c5cc34)nc3ccccc23)cc1
InChIInChI=1S/C30H18N2S/c1-2-9-19(10-3-1)29-23-13-4-6-15-26(23)31-30(32-29)22-14-8-11-20-17-28-25(18-24(20)22)21-12-5-7-16-27(21)33-28/h1-18H
InChIKeyOEZPCQLZVPWJQS-UHFFFAOYSA-N
XLogP8.48
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.56
LogP ≤ 58.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-naphtho[6,7-b][1]benzothiol-10-yl-4-phenylquinazoline with MolForge

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Related Compounds

4-phenyl-2-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-yl)quinazoline
CID 147261870
4-phenyl-2-(23-thiahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14(22),15,17,19-undecaen-17-yl)quinazoline
CID 164840614
21-[4-(3-phenylphenyl)quinazolin-2-yl]-10-thia-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene
CID 145067411
2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-4-phenylquinazoline
CID 149314451
2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenylquinazoline
CID 155328603
7-(3-dibenzothiophen-3-ylphenyl)-2,4-diphenylquinazoline
CID 165028329
14-(3-phenanthren-9-ylphenyl)-10-thia-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 129122800
2-naphthalen-1-yl-4-naphtho[3,2-b][1]benzothiol-8-yl-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-naphtho[7,6-b][1]benzothiol-7-yl-6-phenyl-1,3,5-triazine;2-naphthalen-2-yl-4-naphtho[2,3-b][1]benzothiol-9-yl-6-phenyl-1,3,5-triazine;2-naphthalen-2-yl-4-naphtho[6,7-b][1]benzothiol-10-yl-6-phenyl-1,3,5-triazine;2-naphtho[7,6-b][1]benzothiol-7-yl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 159558563
2-(4-naphtho[2,1-b][1]benzothiol-2-ylnaphthalen-1-yl)-4-phenylquinazoline
CID 155474193
4-phenyl-2-[9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzothiophen-4-yl]quinazoline
CID 155328859
6-dibenzothiophen-1-yl-2,4-diphenylquinazoline
CID 164987004
2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-4-phenylquinazoline
CID 163677058

Frequently Asked Questions

What is the IUPAC name of 2-naphtho[6,7-b][1]benzothiol-10-yl-4-phenylquinazoline?
The IUPAC name of 2-naphtho[6,7-b][1]benzothiol-10-yl-4-phenylquinazoline (CID 155473706) is 2-naphtho[6,7-b][1]benzothiol-10-yl-4-phenylquinazoline.
What is the SMILES notation for 2-naphtho[6,7-b][1]benzothiol-10-yl-4-phenylquinazoline?
The canonical SMILES for 2-naphtho[6,7-b][1]benzothiol-10-yl-4-phenylquinazoline is c1ccc(-c2nc(-c3cccc4cc5sc6ccccc6c5cc34)nc3ccccc23)cc1.
What is the InChIKey of 2-naphtho[6,7-b][1]benzothiol-10-yl-4-phenylquinazoline?
The InChIKey is OEZPCQLZVPWJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18N2S/c1-2-9-19(10-3-1)29-23-13-4-6-15-26(23)31-30(32-29)22-14-8-11-20-17-28-25(18-24(20)22)21-12-5-7-16-27(21)33-28/h1-18H.
What are the key properties of 2-naphtho[6,7-b][1]benzothiol-10-yl-4-phenylquinazoline?
2-naphtho[6,7-b][1]benzothiol-10-yl-4-phenylquinazoline has a molecular weight of 438.56 g/mol, XLogP of 8.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphtho[6,7-b][1]benzothiol-10-yl-4-phenylquinazoline is sourced from PubChem (CID 155473706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).