12-(4-phenyl-1,2-dihydroquinazolin-2-yl)-[1]benzothiolo[2,3-a]carbazole

C32H21N3S — CID 163718010

IUPAC12-(4-phenyl-1,2-dihydroquinazolin-2-yl)-[1]benzothiolo[2,3-a]carbazole
SMILESc1ccc(C2=NC(n3c4ccccc4c4ccc5c6ccccc6sc5c43)Nc3ccccc32)cc1
InChIInChI=1S/C32H21N3S/c1-2-10-20(11-3-1)29-25-14-4-7-15-26(25)33-32(34-29)35-27-16-8-5-12-21(27)23-18-19-24-22-13-6-9-17-28(22)36-31(24)30(23)35/h1-19,32-33H
InChIKeyKPAZQKFUWFPKEY-UHFFFAOYSA-N
MW479.61 g/mol
LogP8.58
Rot. Bonds2

About 12-(4-phenyl-1,2-dihydroquinazolin-2-yl)-[1]benzothiolo[2,3-a]carbazole

12-(4-phenyl-1,2-dihydroquinazolin-2-yl)-[1]benzothiolo[2,3-a]carbazole (PubChem CID 163718010) has the molecular formula C32H21N3S and a molecular weight of 479.61 g/mol. Its IUPAC name is 12-(4-phenyl-1,2-dihydroquinazolin-2-yl)-[1]benzothiolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-(4-phenyl-1,2-dihydroquinazolin-2-yl)-[1]benzothiolo[2,3-a]carbazole
PubChem CID163718010
Molecular FormulaC32H21N3S
Molecular Weight479.61 g/mol
Exact Mass479.15
IUPAC Name12-(4-phenyl-1,2-dihydroquinazolin-2-yl)-[1]benzothiolo[2,3-a]carbazole
SMILESc1ccc(C2=NC(n3c4ccccc4c4ccc5c6ccccc6sc5c43)Nc3ccccc32)cc1
InChIInChI=1S/C32H21N3S/c1-2-10-20(11-3-1)29-25-14-4-7-15-26(25)33-32(34-29)35-27-16-8-5-12-21(27)23-18-19-24-22-13-6-9-17-28(22)36-31(24)30(23)35/h1-19,32-33H
InChIKeyKPAZQKFUWFPKEY-UHFFFAOYSA-N
XLogP8.58
TPSA29.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.61
LogP ≤ 58.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 12-(4-phenyl-1,2-dihydroquinazolin-2-yl)-[1]benzothiolo[2,3-a]carbazole with MolForge

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Related Compounds

3-(4,6-diphenyl-1,2-dihydroquinazolin-2-yl)-15,15-dimethyl-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene
CID 129295251
15-phenyl-12-(4-phenyl-1,2-dihydroquinazolin-2-yl)-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
CID 168721281
1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-phenyl-1,2-dihydroquinazolin-2-yl)carbazole
CID 129312385
11-phenyl-33-(4-phenyl-1,2-dihydroquinazolin-2-yl)-11,21,33-triazanonacyclo[19.10.1.113,16.02,14.04,12.05,10.015,20.022,27.028,32]tritriaconta-1(31),2(14),3,5,7,9,12,15(20),16,18,22,24,26,28(32),29-pentadecaene
CID 129199965
5-[4-[4-(4-phenylphenyl)-1,2-dihydroquinazolin-2-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 139307553
3-dibenzothiophen-4-yl-9-[4-phenyl-6-(4-phenylphenyl)-1,2-dihydropyrimidin-2-yl]carbazole
CID 90051095
7-methyl-7-phenyl-5-(4-phenyl-1,2-dihydroquinazolin-2-yl)indeno[2,1-b]carbazole
CID 145377266
12-[5-(5-phenyl-1,2,4-triazolidin-3-yl)-2H-pyrrol-2-yl]-[1]benzothiolo[2,3-a]carbazole
CID 145190443
15-phenyl-11-[4-(4-phenyl-1,2-dihydroquinolin-2-yl)phenyl]-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene
CID 144969868
12-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 165045068
12-[3-(2-phenyl-1,2-dihydroquinazolin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 130180366
12-(4,6-diphenyl-1,4-dihydropyrimidin-2-yl)-[1]benzothiolo[2,3-a]carbazole
CID 129276668

Frequently Asked Questions

What is the IUPAC name of 12-(4-phenyl-1,2-dihydroquinazolin-2-yl)-[1]benzothiolo[2,3-a]carbazole?
The IUPAC name of 12-(4-phenyl-1,2-dihydroquinazolin-2-yl)-[1]benzothiolo[2,3-a]carbazole (CID 163718010) is 12-(4-phenyl-1,2-dihydroquinazolin-2-yl)-[1]benzothiolo[2,3-a]carbazole.
What is the SMILES notation for 12-(4-phenyl-1,2-dihydroquinazolin-2-yl)-[1]benzothiolo[2,3-a]carbazole?
The canonical SMILES for 12-(4-phenyl-1,2-dihydroquinazolin-2-yl)-[1]benzothiolo[2,3-a]carbazole is c1ccc(C2=NC(n3c4ccccc4c4ccc5c6ccccc6sc5c43)Nc3ccccc32)cc1.
What is the InChIKey of 12-(4-phenyl-1,2-dihydroquinazolin-2-yl)-[1]benzothiolo[2,3-a]carbazole?
The InChIKey is KPAZQKFUWFPKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21N3S/c1-2-10-20(11-3-1)29-25-14-4-7-15-26(25)33-32(34-29)35-27-16-8-5-12-21(27)23-18-19-24-22-13-6-9-17-28(22)36-31(24)30(23)35/h1-19,32-33H.
What are the key properties of 12-(4-phenyl-1,2-dihydroquinazolin-2-yl)-[1]benzothiolo[2,3-a]carbazole?
12-(4-phenyl-1,2-dihydroquinazolin-2-yl)-[1]benzothiolo[2,3-a]carbazole has a molecular weight of 479.61 g/mol, XLogP of 8.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4-phenyl-1,2-dihydroquinazolin-2-yl)-[1]benzothiolo[2,3-a]carbazole is sourced from PubChem (CID 163718010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).