2-(4-naphtho[2,1-b][1]benzothiol-2-ylnaphthalen-1-yl)-4-phenylquinazoline

C40H24N2S — CID 155474193

IUPAC2-(4-naphtho[2,1-b][1]benzothiol-2-ylnaphthalen-1-yl)-4-phenylquinazoline
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5ccc6sc7ccccc7c6c5c4)c4ccccc34)nc3ccccc23)cc1
InChIInChI=1S/C40H24N2S/c1-2-10-26(11-3-1)39-32-14-6-8-16-35(32)41-40(42-39)31-22-21-28(29-12-4-5-13-30(29)31)27-19-18-25-20-23-37-38(34(25)24-27)33-15-7-9-17-36(33)43-37/h1-24H
InChIKeyVCLFHLGNBOURAK-UHFFFAOYSA-N
MW564.71 g/mol
LogP11.31
Rot. Bonds3

About 2-(4-naphtho[2,1-b][1]benzothiol-2-ylnaphthalen-1-yl)-4-phenylquinazoline

2-(4-naphtho[2,1-b][1]benzothiol-2-ylnaphthalen-1-yl)-4-phenylquinazoline (PubChem CID 155474193) has the molecular formula C40H24N2S and a molecular weight of 564.71 g/mol. Its IUPAC name is 2-(4-naphtho[2,1-b][1]benzothiol-2-ylnaphthalen-1-yl)-4-phenylquinazoline.

Molecular Properties

Compound Name2-(4-naphtho[2,1-b][1]benzothiol-2-ylnaphthalen-1-yl)-4-phenylquinazoline
PubChem CID155474193
Molecular FormulaC40H24N2S
Molecular Weight564.71 g/mol
Exact Mass564.17
IUPAC Name2-(4-naphtho[2,1-b][1]benzothiol-2-ylnaphthalen-1-yl)-4-phenylquinazoline
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5ccc6sc7ccccc7c6c5c4)c4ccccc34)nc3ccccc23)cc1
InChIInChI=1S/C40H24N2S/c1-2-10-26(11-3-1)39-32-14-6-8-16-35(32)41-40(42-39)31-22-21-28(29-12-4-5-13-30(29)31)27-19-18-25-20-23-37-38(34(25)24-27)33-15-7-9-17-36(33)43-37/h1-24H
InChIKeyVCLFHLGNBOURAK-UHFFFAOYSA-N
XLogP11.31
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.71
LogP ≤ 511.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-naphtho[2,1-b][1]benzothiol-2-ylnaphthalen-1-yl)-4-phenylquinazoline with MolForge

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Related Compounds

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
2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-4-phenylquinazoline
CID 149314451
6-dibenzothiophen-1-yl-2,4-diphenylquinazoline
CID 164987004
2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenylquinazoline
CID 155328603
2-naphtho[2,1-b][1]benzofuran-2-yl-4-phenylbenzo[h]quinazoline;2-naphtho[2,1-b][1]benzofuran-2-yl-4-phenylquinazoline;3-naphtho[2,1-b][1]benzothiol-2-yl-1-phenylbenzo[f]quinazoline;2-naphtho[2,1-b][1]benzothiol-2-yl-4-phenylbenzo[h]quinazoline
CID 165009597
2-[3-(3-naphtho[2,1-b][1]benzothiol-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 134430175
4-phenyl-2-(22-thiahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2,4,6,8(13),9,11,15(23),16,18,20,24-dodecaen-10-yl)benzo[h]quinazoline
CID 147629543
N,N-bis(4-phenylphenyl)-9-[2-(4-phenylquinazolin-2-yl)phenyl]dibenzothiophen-3-amine
CID 169280902
4-phenyl-2-(3-thiahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaen-19-yl)quinazoline
CID 154595766
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-naphthalen-2-yl-2-(3-naphthalen-2-yldibenzothiophen-1-yl)quinazoline
CID 174328544
4-phenyl-2-[9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzothiophen-4-yl]quinazoline
CID 155328859

Frequently Asked Questions

What is the IUPAC name of 2-(4-naphtho[2,1-b][1]benzothiol-2-ylnaphthalen-1-yl)-4-phenylquinazoline?
The IUPAC name of 2-(4-naphtho[2,1-b][1]benzothiol-2-ylnaphthalen-1-yl)-4-phenylquinazoline (CID 155474193) is 2-(4-naphtho[2,1-b][1]benzothiol-2-ylnaphthalen-1-yl)-4-phenylquinazoline.
What is the SMILES notation for 2-(4-naphtho[2,1-b][1]benzothiol-2-ylnaphthalen-1-yl)-4-phenylquinazoline?
The canonical SMILES for 2-(4-naphtho[2,1-b][1]benzothiol-2-ylnaphthalen-1-yl)-4-phenylquinazoline is c1ccc(-c2nc(-c3ccc(-c4ccc5ccc6sc7ccccc7c6c5c4)c4ccccc34)nc3ccccc23)cc1.
What is the InChIKey of 2-(4-naphtho[2,1-b][1]benzothiol-2-ylnaphthalen-1-yl)-4-phenylquinazoline?
The InChIKey is VCLFHLGNBOURAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N2S/c1-2-10-26(11-3-1)39-32-14-6-8-16-35(32)41-40(42-39)31-22-21-28(29-12-4-5-13-30(29)31)27-19-18-25-20-23-37-38(34(25)24-27)33-15-7-9-17-36(33)43-37/h1-24H.
What are the key properties of 2-(4-naphtho[2,1-b][1]benzothiol-2-ylnaphthalen-1-yl)-4-phenylquinazoline?
2-(4-naphtho[2,1-b][1]benzothiol-2-ylnaphthalen-1-yl)-4-phenylquinazoline has a molecular weight of 564.71 g/mol, XLogP of 11.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-naphtho[2,1-b][1]benzothiol-2-ylnaphthalen-1-yl)-4-phenylquinazoline is sourced from PubChem (CID 155474193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).