11-[4-(4-methylphenyl)quinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole

C33H21N3S — CID 147883885

IUPAC11-[4-(4-methylphenyl)quinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole
SMILESCc1ccc(-c2nc(-n3c4ccccc4c4cc5sc6ccccc6c5cc43)nc3ccccc23)cc1
InChIInChI=1S/C33H21N3S/c1-20-14-16-21(17-15-20)32-24-10-2-5-11-27(24)34-33(35-32)36-28-12-6-3-8-22(28)25-19-31-26(18-29(25)36)23-9-4-7-13-30(23)37-31/h2-19H,1H3
InChIKeyIAYKNIPKNRRHQN-UHFFFAOYSA-N
MW491.62 g/mol
LogP9.07
Rot. Bonds2

About 11-[4-(4-methylphenyl)quinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole

11-[4-(4-methylphenyl)quinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole (PubChem CID 147883885) has the molecular formula C33H21N3S and a molecular weight of 491.62 g/mol. Its IUPAC name is 11-[4-(4-methylphenyl)quinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole.

Molecular Properties

Compound Name11-[4-(4-methylphenyl)quinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole
PubChem CID147883885
Molecular FormulaC33H21N3S
Molecular Weight491.62 g/mol
Exact Mass491.15
IUPAC Name11-[4-(4-methylphenyl)quinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole
SMILESCc1ccc(-c2nc(-n3c4ccccc4c4cc5sc6ccccc6c5cc43)nc3ccccc23)cc1
InChIInChI=1S/C33H21N3S/c1-20-14-16-21(17-15-20)32-24-10-2-5-11-27(24)34-33(35-32)36-28-12-6-3-8-22(28)25-19-31-26(18-29(25)36)23-9-4-7-13-30(23)37-31/h2-19H,1H3
InChIKeyIAYKNIPKNRRHQN-UHFFFAOYSA-N
XLogP9.07
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.62
LogP ≤ 59.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-b]carbazole
CID 129254561
11-[4-[4-(4-isocyanophenyl)phenyl]quinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole
CID 140775884
11-[4-[4-(3-isocyanophenyl)phenyl]quinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole
CID 159705158
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
7-carbazol-9-yl-5-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[b]carbazole
CID 146375444
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-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole
CID 67472142
15-phenyl-28-(4-phenylquinazolin-2-yl)-10,18-dithia-28-azaoctacyclo[15.14.0.02,14.03,11.04,9.019,31.021,29.022,27]hentriaconta-1(17),2(14),3(11),4,6,8,12,15,19,21(29),22,24,26,30-tetradecaene
CID 162425336
24-(4-phenylquinazolin-2-yl)-12-thia-24-azaheptacyclo[13.9.0.03,13.04,11.06,9.016,23.018,21]tetracosa-1(15),2,4(11),5,9,13,16(23),17,21-nonaene
CID 146658886
3-dibenzothiophen-3-yl-9-[4-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]carbazole
CID 90129250
5-dibenzothiophen-2-yl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 122692448

Frequently Asked Questions

What is the IUPAC name of 11-[4-(4-methylphenyl)quinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole?
The IUPAC name of 11-[4-(4-methylphenyl)quinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole (CID 147883885) is 11-[4-(4-methylphenyl)quinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole.
What is the SMILES notation for 11-[4-(4-methylphenyl)quinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole?
The canonical SMILES for 11-[4-(4-methylphenyl)quinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole is Cc1ccc(-c2nc(-n3c4ccccc4c4cc5sc6ccccc6c5cc43)nc3ccccc23)cc1.
What is the InChIKey of 11-[4-(4-methylphenyl)quinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole?
The InChIKey is IAYKNIPKNRRHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21N3S/c1-20-14-16-21(17-15-20)32-24-10-2-5-11-27(24)34-33(35-32)36-28-12-6-3-8-22(28)25-19-31-26(18-29(25)36)23-9-4-7-13-30(23)37-31/h2-19H,1H3.
What are the key properties of 11-[4-(4-methylphenyl)quinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole?
11-[4-(4-methylphenyl)quinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole has a molecular weight of 491.62 g/mol, XLogP of 9.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-(4-methylphenyl)quinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole is sourced from PubChem (CID 147883885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).