6-dibenzothiophen-1-yl-2,4-diphenylquinazoline

C32H20N2S — CID 164987004

IUPAC6-dibenzothiophen-1-yl-2,4-diphenylquinazoline
SMILESc1ccc(-c2nc(-c3ccccc3)c3cc(-c4cccc5sc6ccccc6c45)ccc3n2)cc1
InChIInChI=1S/C32H20N2S/c1-3-10-21(11-4-1)31-26-20-23(18-19-27(26)33-32(34-31)22-12-5-2-6-13-22)24-15-9-17-29-30(24)25-14-7-8-16-28(25)35-29/h1-20H
InChIKeyVQPCZEYWARRLHP-UHFFFAOYSA-N
MW464.59 g/mol
LogP9.00
Rot. Bonds3

About 6-dibenzothiophen-1-yl-2,4-diphenylquinazoline

6-dibenzothiophen-1-yl-2,4-diphenylquinazoline (PubChem CID 164987004) has the molecular formula C32H20N2S and a molecular weight of 464.59 g/mol. Its IUPAC name is 6-dibenzothiophen-1-yl-2,4-diphenylquinazoline.

Molecular Properties

Compound Name6-dibenzothiophen-1-yl-2,4-diphenylquinazoline
PubChem CID164987004
Molecular FormulaC32H20N2S
Molecular Weight464.59 g/mol
Exact Mass464.13
IUPAC Name6-dibenzothiophen-1-yl-2,4-diphenylquinazoline
SMILESc1ccc(-c2nc(-c3ccccc3)c3cc(-c4cccc5sc6ccccc6c45)ccc3n2)cc1
InChIInChI=1S/C32H20N2S/c1-3-10-21(11-4-1)31-26-20-23(18-19-27(26)33-32(34-31)22-12-5-2-6-13-22)24-15-9-17-29-30(24)25-14-7-8-16-28(25)35-29/h1-20H
InChIKeyVQPCZEYWARRLHP-UHFFFAOYSA-N
XLogP9.00
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.59
LogP ≤ 59.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-4-phenylquinazoline
CID 149314451
2,4-bis(4-dibenzothiophen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 139304432
4,6-bis(3-dibenzothiophen-1-ylphenyl)-2-phenylpyrimidine
CID 139304929
2-(3-dibenzothiophen-1-ylphenyl)-4-(4-dibenzothiophen-1-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 169291118
2-[9-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 170193405
6-(4-dibenzothiophen-2-ylphenyl)-2,4-diphenylquinazoline;5-(4-dibenzothiophen-2-ylphenyl)-2,3-diphenylquinoxaline
CID 164997910
2-dibenzothiophen-1-yl-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine
CID 139305007
2,4-di(dibenzothiophen-1-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 139304948
2-(5-dibenzothiophen-1-yl-2-fluorophenyl)-4,6-diphenyl-1,3,5-triazine
CID 177292330
2-[4-(3-dibenzothiophen-1-yl-5-dibenzothiophen-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 171402433
2-(4-naphtho[2,1-b][1]benzothiol-2-ylnaphthalen-1-yl)-4-phenylquinazoline
CID 155474193
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

Frequently Asked Questions

What is the IUPAC name of 6-dibenzothiophen-1-yl-2,4-diphenylquinazoline?
The IUPAC name of 6-dibenzothiophen-1-yl-2,4-diphenylquinazoline (CID 164987004) is 6-dibenzothiophen-1-yl-2,4-diphenylquinazoline.
What is the SMILES notation for 6-dibenzothiophen-1-yl-2,4-diphenylquinazoline?
The canonical SMILES for 6-dibenzothiophen-1-yl-2,4-diphenylquinazoline is c1ccc(-c2nc(-c3ccccc3)c3cc(-c4cccc5sc6ccccc6c45)ccc3n2)cc1.
What is the InChIKey of 6-dibenzothiophen-1-yl-2,4-diphenylquinazoline?
The InChIKey is VQPCZEYWARRLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N2S/c1-3-10-21(11-4-1)31-26-20-23(18-19-27(26)33-32(34-31)22-12-5-2-6-13-22)24-15-9-17-29-30(24)25-14-7-8-16-28(25)35-29/h1-20H.
What are the key properties of 6-dibenzothiophen-1-yl-2,4-diphenylquinazoline?
6-dibenzothiophen-1-yl-2,4-diphenylquinazoline has a molecular weight of 464.59 g/mol, XLogP of 9.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-dibenzothiophen-1-yl-2,4-diphenylquinazoline is sourced from PubChem (CID 164987004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).