7-(4-phenylquinazolin-2-yl)-10-(5-phenylthiophen-2-yl)benzo[c]carbazole

C40H25N3S — CID 122692460

IUPAC7-(4-phenylquinazolin-2-yl)-10-(5-phenylthiophen-2-yl)benzo[c]carbazole
SMILESc1ccc(-c2ccc(-c3ccc4c(c3)c3c5ccccc5ccc3n4-c3nc(-c4ccccc4)c4ccccc4n3)s2)cc1
InChIInChI=1S/C40H25N3S/c1-3-12-27(13-4-1)36-23-24-37(44-36)29-20-21-34-32(25-29)38-30-16-8-7-11-26(30)19-22-35(38)43(34)40-41-33-18-10-9-17-31(33)39(42-40)28-14-5-2-6-15-28/h1-25H
InChIKeyZXZWAEAYHFMJSV-UHFFFAOYSA-N
MW579.73 g/mol
LogP10.94
Rot. Bonds4

About 7-(4-phenylquinazolin-2-yl)-10-(5-phenylthiophen-2-yl)benzo[c]carbazole

7-(4-phenylquinazolin-2-yl)-10-(5-phenylthiophen-2-yl)benzo[c]carbazole (PubChem CID 122692460) has the molecular formula C40H25N3S and a molecular weight of 579.73 g/mol. Its IUPAC name is 7-(4-phenylquinazolin-2-yl)-10-(5-phenylthiophen-2-yl)benzo[c]carbazole.

Molecular Properties

Compound Name7-(4-phenylquinazolin-2-yl)-10-(5-phenylthiophen-2-yl)benzo[c]carbazole
PubChem CID122692460
Molecular FormulaC40H25N3S
Molecular Weight579.73 g/mol
Exact Mass579.18
IUPAC Name7-(4-phenylquinazolin-2-yl)-10-(5-phenylthiophen-2-yl)benzo[c]carbazole
SMILESc1ccc(-c2ccc(-c3ccc4c(c3)c3c5ccccc5ccc3n4-c3nc(-c4ccccc4)c4ccccc4n3)s2)cc1
InChIInChI=1S/C40H25N3S/c1-3-12-27(13-4-1)36-23-24-37(44-36)29-20-21-34-32(25-29)38-30-16-8-7-11-26(30)19-22-35(38)43(34)40-41-33-18-10-9-17-31(33)39(42-40)28-14-5-2-6-15-28/h1-25H
InChIKeyZXZWAEAYHFMJSV-UHFFFAOYSA-N
XLogP10.94
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.73
LogP ≤ 510.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-dibenzothiophen-4-yl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 168730639
7-(4-phenylphenyl)-10-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-10-yl]benzo[c]carbazole;7-(4-phenylphenyl)-10-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[c]carbazole
CID 165103211
9-phenyl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 90215710
12-[4-[3-(4-phenylphenyl)phenyl]quinazolin-2-yl]-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 118535672
7-(4-phenylquinazolin-2-yl)-5-(5-phenylthiophen-2-yl)benzo[c]carbazole
CID 122692462
7-[4-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]quinazolin-2-yl]benzo[c]carbazole
CID 71109055
7-(4-tert-butylphenyl)-10-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[c]carbazole
CID 147850713
7-(4-naphthalen-2-ylphenyl)-10-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[c]carbazole
CID 164784298
7-[4-(9-naphthalen-1-ylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole
CID 71109103
3-phenyl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 130350871
12-[4-(7-phenylbenzo[c]carbazol-10-yl)quinazolin-2-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 139361712
12-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]-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 118535711

Frequently Asked Questions

What is the IUPAC name of 7-(4-phenylquinazolin-2-yl)-10-(5-phenylthiophen-2-yl)benzo[c]carbazole?
The IUPAC name of 7-(4-phenylquinazolin-2-yl)-10-(5-phenylthiophen-2-yl)benzo[c]carbazole (CID 122692460) is 7-(4-phenylquinazolin-2-yl)-10-(5-phenylthiophen-2-yl)benzo[c]carbazole.
What is the SMILES notation for 7-(4-phenylquinazolin-2-yl)-10-(5-phenylthiophen-2-yl)benzo[c]carbazole?
The canonical SMILES for 7-(4-phenylquinazolin-2-yl)-10-(5-phenylthiophen-2-yl)benzo[c]carbazole is c1ccc(-c2ccc(-c3ccc4c(c3)c3c5ccccc5ccc3n4-c3nc(-c4ccccc4)c4ccccc4n3)s2)cc1.
What is the InChIKey of 7-(4-phenylquinazolin-2-yl)-10-(5-phenylthiophen-2-yl)benzo[c]carbazole?
The InChIKey is ZXZWAEAYHFMJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N3S/c1-3-12-27(13-4-1)36-23-24-37(44-36)29-20-21-34-32(25-29)38-30-16-8-7-11-26(30)19-22-35(38)43(34)40-41-33-18-10-9-17-31(33)39(42-40)28-14-5-2-6-15-28/h1-25H.
What are the key properties of 7-(4-phenylquinazolin-2-yl)-10-(5-phenylthiophen-2-yl)benzo[c]carbazole?
7-(4-phenylquinazolin-2-yl)-10-(5-phenylthiophen-2-yl)benzo[c]carbazole has a molecular weight of 579.73 g/mol, XLogP of 10.94, 4 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)-10-(5-phenylthiophen-2-yl)benzo[c]carbazole is sourced from PubChem (CID 122692460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).