7-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-b]carbazole

C32H19N3S — CID 129254561

IUPAC7-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-b]carbazole
SMILESc1ccc(-c2nc(-n3c4ccccc4c4cc5c(cc43)sc3ccccc35)nc3ccccc23)cc1
InChIInChI=1S/C32H19N3S/c1-2-10-20(11-3-1)31-23-14-4-7-15-26(23)33-32(34-31)35-27-16-8-5-12-21(27)24-18-25-22-13-6-9-17-29(22)36-30(25)19-28(24)35/h1-19H
InChIKeyKLUQVORSQUXQEE-UHFFFAOYSA-N
MW477.59 g/mol
LogP8.76
Rot. Bonds2

About 7-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-b]carbazole

7-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-b]carbazole (PubChem CID 129254561) has the molecular formula C32H19N3S and a molecular weight of 477.59 g/mol. Its IUPAC name is 7-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-b]carbazole.

Molecular Properties

Compound Name7-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-b]carbazole
PubChem CID129254561
Molecular FormulaC32H19N3S
Molecular Weight477.59 g/mol
Exact Mass477.13
IUPAC Name7-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-b]carbazole
SMILESc1ccc(-c2nc(-n3c4ccccc4c4cc5c(cc43)sc3ccccc35)nc3ccccc23)cc1
InChIInChI=1S/C32H19N3S/c1-2-10-20(11-3-1)31-23-14-4-7-15-26(23)33-32(34-31)35-27-16-8-5-12-21(27)24-18-25-22-13-6-9-17-29(22)36-30(25)19-28(24)35/h1-19H
InChIKeyKLUQVORSQUXQEE-UHFFFAOYSA-N
XLogP8.76
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.59
LogP ≤ 58.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

11-[4-(4-methylphenyl)quinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole
CID 147883885
15-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 126702033
11-[4-[4-(4-isocyanophenyl)phenyl]quinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole
CID 140775884
3-(4-dibenzothiophen-2-ylphenyl)-9-[4-(3,5-diphenylphenyl)quinazolin-2-yl]carbazole
CID 118067250
22-(4-phenylquinazolin-2-yl)-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene
CID 122466175
11-[4-[4-(3-isocyanophenyl)phenyl]quinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole
CID 159705158
10-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-7-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-b]carbazole
CID 138475168
7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-b]carbazole
CID 166563520
2-([1]benzothiolo[2,3-b]carbazol-7-yl)-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 130333587
5-dibenzothiophen-2-yl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 122692448
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole
CID 67472142
7-carbazol-9-yl-5-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[b]carbazole
CID 146375444

Frequently Asked Questions

What is the IUPAC name of 7-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-b]carbazole?
The IUPAC name of 7-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-b]carbazole (CID 129254561) is 7-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-b]carbazole.
What is the SMILES notation for 7-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-b]carbazole?
The canonical SMILES for 7-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-b]carbazole is c1ccc(-c2nc(-n3c4ccccc4c4cc5c(cc43)sc3ccccc35)nc3ccccc23)cc1.
What is the InChIKey of 7-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-b]carbazole?
The InChIKey is KLUQVORSQUXQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19N3S/c1-2-10-20(11-3-1)31-23-14-4-7-15-26(23)33-32(34-31)35-27-16-8-5-12-21(27)24-18-25-22-13-6-9-17-29(22)36-30(25)19-28(24)35/h1-19H.
What are the key properties of 7-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-b]carbazole?
7-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-b]carbazole has a molecular weight of 477.59 g/mol, XLogP of 8.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-b]carbazole is sourced from PubChem (CID 129254561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).