3-naphtho[7,6-b][1]benzothiol-7-yl-1-phenyl-3,4-dihydrobenzo[f]quinazoline

C34H22N2S — CID 155020157

IUPAC3-naphtho[7,6-b][1]benzothiol-7-yl-1-phenyl-3,4-dihydrobenzo[f]quinazoline
SMILESc1ccc(C2=NC(c3cccc4cc5c(cc34)sc3ccccc35)Nc3ccc4ccccc4c32)cc1
InChIInChI=1S/C34H22N2S/c1-2-10-22(11-3-1)33-32-24-13-5-4-9-21(24)17-18-29(32)35-34(36-33)26-15-8-12-23-19-28-25-14-6-7-16-30(25)37-31(28)20-27(23)26/h1-20,34-35H
InChIKeyVSOJSLMIOUBSGF-UHFFFAOYSA-N
MW490.63 g/mol
LogP9.32
Rot. Bonds2

About 3-naphtho[7,6-b][1]benzothiol-7-yl-1-phenyl-3,4-dihydrobenzo[f]quinazoline

3-naphtho[7,6-b][1]benzothiol-7-yl-1-phenyl-3,4-dihydrobenzo[f]quinazoline (PubChem CID 155020157) has the molecular formula C34H22N2S and a molecular weight of 490.63 g/mol. Its IUPAC name is 3-naphtho[7,6-b][1]benzothiol-7-yl-1-phenyl-3,4-dihydrobenzo[f]quinazoline.

Molecular Properties

Compound Name3-naphtho[7,6-b][1]benzothiol-7-yl-1-phenyl-3,4-dihydrobenzo[f]quinazoline
PubChem CID155020157
Molecular FormulaC34H22N2S
Molecular Weight490.63 g/mol
Exact Mass490.15
IUPAC Name3-naphtho[7,6-b][1]benzothiol-7-yl-1-phenyl-3,4-dihydrobenzo[f]quinazoline
SMILESc1ccc(C2=NC(c3cccc4cc5c(cc34)sc3ccccc35)Nc3ccc4ccccc4c32)cc1
InChIInChI=1S/C34H22N2S/c1-2-10-22(11-3-1)33-32-24-13-5-4-9-21(24)17-18-29(32)35-34(36-33)26-15-8-12-23-19-28-25-14-6-7-16-30(25)37-31(28)20-27(23)26/h1-20,34-35H
InChIKeyVSOJSLMIOUBSGF-UHFFFAOYSA-N
XLogP9.32
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.63
LogP ≤ 59.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

12-[3-(4-dibenzothiophen-3-yl-1,2-dihydroquinazolin-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 118535684
3-naphtho[7,6-b][1]benzothiol-7-yl-2-phenylbenzo[f]quinoxaline
CID 155473714
7-[3-(10-phenylanthracen-9-yl)phenyl]-12,22-dithiahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 130186265
14-phenyl-10-thiapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 123937944
7-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzothiole
CID 164836163
2-(3-naphtho[3,2-b][1]benzothiol-11-ylphenyl)-4,6-diphenyl-1,3,5-triazinane
CID 163997133
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
7-(10-dibenzothiophen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzothiole
CID 122426281
18-[3-(10-phenylanthracen-9-yl)phenyl]-3,22-dithiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaene
CID 130213026
N-benzo[c]phenanthren-5-yl-N-(4-phenylphenyl)naphtho[7,6-b][1]benzothiol-7-amine
CID 167183536
1-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-(4-phenylphenyl)naphthalen-2-amine
CID 156522856
N,N-diphenyl-3-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaen-7-yl)aniline
CID 155318242

Frequently Asked Questions

What is the IUPAC name of 3-naphtho[7,6-b][1]benzothiol-7-yl-1-phenyl-3,4-dihydrobenzo[f]quinazoline?
The IUPAC name of 3-naphtho[7,6-b][1]benzothiol-7-yl-1-phenyl-3,4-dihydrobenzo[f]quinazoline (CID 155020157) is 3-naphtho[7,6-b][1]benzothiol-7-yl-1-phenyl-3,4-dihydrobenzo[f]quinazoline.
What is the SMILES notation for 3-naphtho[7,6-b][1]benzothiol-7-yl-1-phenyl-3,4-dihydrobenzo[f]quinazoline?
The canonical SMILES for 3-naphtho[7,6-b][1]benzothiol-7-yl-1-phenyl-3,4-dihydrobenzo[f]quinazoline is c1ccc(C2=NC(c3cccc4cc5c(cc34)sc3ccccc35)Nc3ccc4ccccc4c32)cc1.
What is the InChIKey of 3-naphtho[7,6-b][1]benzothiol-7-yl-1-phenyl-3,4-dihydrobenzo[f]quinazoline?
The InChIKey is VSOJSLMIOUBSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N2S/c1-2-10-22(11-3-1)33-32-24-13-5-4-9-21(24)17-18-29(32)35-34(36-33)26-15-8-12-23-19-28-25-14-6-7-16-30(25)37-31(28)20-27(23)26/h1-20,34-35H.
What are the key properties of 3-naphtho[7,6-b][1]benzothiol-7-yl-1-phenyl-3,4-dihydrobenzo[f]quinazoline?
3-naphtho[7,6-b][1]benzothiol-7-yl-1-phenyl-3,4-dihydrobenzo[f]quinazoline has a molecular weight of 490.63 g/mol, XLogP of 9.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphtho[7,6-b][1]benzothiol-7-yl-1-phenyl-3,4-dihydrobenzo[f]quinazoline is sourced from PubChem (CID 155020157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).