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

C40H25N3S — CID 122692462

IUPAC7-(4-phenylquinazolin-2-yl)-5-(5-phenylthiophen-2-yl)benzo[c]carbazole
SMILESc1ccc(-c2ccc(-c3cc4c(c5ccccc35)c3ccccc3n4-c3nc(-c4ccccc4)c4ccccc4n3)s2)cc1
InChIInChI=1S/C40H25N3S/c1-3-13-26(14-4-1)36-23-24-37(44-36)32-25-35-38(29-18-8-7-17-28(29)32)31-20-10-12-22-34(31)43(35)40-41-33-21-11-9-19-30(33)39(42-40)27-15-5-2-6-16-27/h1-25H
InChIKeyZSXJSMZNZNDJJU-UHFFFAOYSA-N
MW579.73 g/mol
LogP10.94
Rot. Bonds4

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

7-(4-phenylquinazolin-2-yl)-5-(5-phenylthiophen-2-yl)benzo[c]carbazole (PubChem CID 122692462) has the molecular formula C40H25N3S and a molecular weight of 579.73 g/mol. Its IUPAC name is 7-(4-phenylquinazolin-2-yl)-5-(5-phenylthiophen-2-yl)benzo[c]carbazole.

Molecular Properties

Compound Name7-(4-phenylquinazolin-2-yl)-5-(5-phenylthiophen-2-yl)benzo[c]carbazole
PubChem CID122692462
Molecular FormulaC40H25N3S
Molecular Weight579.73 g/mol
Exact Mass579.18
IUPAC Name7-(4-phenylquinazolin-2-yl)-5-(5-phenylthiophen-2-yl)benzo[c]carbazole
SMILESc1ccc(-c2ccc(-c3cc4c(c5ccccc35)c3ccccc3n4-c3nc(-c4ccccc4)c4ccccc4n3)s2)cc1
InChIInChI=1S/C40H25N3S/c1-3-13-26(14-4-1)36-23-24-37(44-36)32-25-35-38(29-18-8-7-17-28(29)32)31-20-10-12-22-34(31)43(35)40-41-33-21-11-9-19-30(33)39(42-40)27-15-5-2-6-16-27/h1-25H
InChIKeyZSXJSMZNZNDJJU-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

5-dibenzothiophen-2-yl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 122692448
9,15-diphenyl-12-(4-phenylquinazolin-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 131999013
7-(4-phenylquinazolin-2-yl)-10-(5-phenylthiophen-2-yl)benzo[c]carbazole
CID 122692460
5-[3-(9-phenylcarbazol-3-yl)phenyl]-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 134353255
9,15-diphenyl-12-[4-(4-phenylphenyl)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 131999012
5,9-diphenyl-7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 90215703
5-[4-(2-benzo[c]carbazol-7-ylquinazolin-4-yl)phenyl]-7-phenylbenzo[c]carbazole
CID 71109304
5-phenyl-30-[4-(4-phenylnaphthalen-1-yl)quinazolin-2-yl]-5,30-diazanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene
CID 118603554
5-naphthalen-1-yl-30-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-5,30-diazanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene
CID 144681365
6-phenyl-4-[9-(4-phenylquinazolin-2-yl)carbazol-4-yl]-[1,2,5]thiadiazolo[3,4-c]carbazole
CID 163425156
27-(4-phenylquinazolin-2-yl)-27-azaheptacyclo[12.11.1.16,9.02,7.08,13.016,21.022,26]heptacosa-1(25),2(7),3,5,8(13),9,11,14,16,18,20,22(26),23-tridecaene
CID 164840623
3-phenyl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 130350871

Frequently Asked Questions

What is the IUPAC name of 7-(4-phenylquinazolin-2-yl)-5-(5-phenylthiophen-2-yl)benzo[c]carbazole?
The IUPAC name of 7-(4-phenylquinazolin-2-yl)-5-(5-phenylthiophen-2-yl)benzo[c]carbazole (CID 122692462) is 7-(4-phenylquinazolin-2-yl)-5-(5-phenylthiophen-2-yl)benzo[c]carbazole.
What is the SMILES notation for 7-(4-phenylquinazolin-2-yl)-5-(5-phenylthiophen-2-yl)benzo[c]carbazole?
The canonical SMILES for 7-(4-phenylquinazolin-2-yl)-5-(5-phenylthiophen-2-yl)benzo[c]carbazole is c1ccc(-c2ccc(-c3cc4c(c5ccccc35)c3ccccc3n4-c3nc(-c4ccccc4)c4ccccc4n3)s2)cc1.
What is the InChIKey of 7-(4-phenylquinazolin-2-yl)-5-(5-phenylthiophen-2-yl)benzo[c]carbazole?
The InChIKey is ZSXJSMZNZNDJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N3S/c1-3-13-26(14-4-1)36-23-24-37(44-36)32-25-35-38(29-18-8-7-17-28(29)32)31-20-10-12-22-34(31)43(35)40-41-33-21-11-9-19-30(33)39(42-40)27-15-5-2-6-16-27/h1-25H.
What are the key properties of 7-(4-phenylquinazolin-2-yl)-5-(5-phenylthiophen-2-yl)benzo[c]carbazole?
7-(4-phenylquinazolin-2-yl)-5-(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)-5-(5-phenylthiophen-2-yl)benzo[c]carbazole is sourced from PubChem (CID 122692462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).