10-carbazol-9-yl-7-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[c]carbazole

C48H28N4S — CID 162481431

IUPAC10-carbazol-9-yl-7-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[c]carbazole
SMILESc1ccc2c(c1)ccc1c2c2cc(-n3c4ccccc4c4ccccc43)ccc2n1-c1nc(-c2ccc3sc4ccccc4c3c2)c2ccccc2n1
InChIInChI=1S/C48H28N4S/c1-2-12-32-29(11-1)21-24-43-46(32)38-28-31(51-40-18-8-4-13-33(40)34-14-5-9-19-41(34)51)23-25-42(38)52(43)48-49-39-17-7-3-16-36(39)47(50-48)30-22-26-45-37(27-30)35-15-6-10-20-44(35)53-45/h1-28H
InChIKeyPCHFFOOZKQPCQY-UHFFFAOYSA-N
MW692.85 g/mol
LogP13.01
Rot. Bonds3

About 10-carbazol-9-yl-7-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[c]carbazole

10-carbazol-9-yl-7-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[c]carbazole (PubChem CID 162481431) has the molecular formula C48H28N4S and a molecular weight of 692.85 g/mol. Its IUPAC name is 10-carbazol-9-yl-7-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[c]carbazole.

Molecular Properties

Compound Name10-carbazol-9-yl-7-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[c]carbazole
PubChem CID162481431
Molecular FormulaC48H28N4S
Molecular Weight692.85 g/mol
Exact Mass692.20
IUPAC Name10-carbazol-9-yl-7-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[c]carbazole
SMILESc1ccc2c(c1)ccc1c2c2cc(-n3c4ccccc4c4ccccc43)ccc2n1-c1nc(-c2ccc3sc4ccccc4c3c2)c2ccccc2n1
InChIInChI=1S/C48H28N4S/c1-2-12-32-29(11-1)21-24-43-46(32)38-28-31(51-40-18-8-4-13-33(40)34-14-5-9-19-41(34)51)23-25-42(38)52(43)48-49-39-17-7-3-16-36(39)47(50-48)30-22-26-45-37(27-30)35-15-6-10-20-44(35)53-45/h1-28H
InChIKeyPCHFFOOZKQPCQY-UHFFFAOYSA-N
XLogP13.01
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.85
LogP ≤ 513.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-carbazol-9-yl-7-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[c]carbazole
CID 162481266
10-benzo[c]carbazol-7-yl-5-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[b]carbazole
CID 146374695
10-benzo[c]carbazol-7-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole
CID 162481241
9-benzo[a]carbazol-11-yl-7-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[c]carbazole;9-benzo[a]carbazol-11-yl-7-(3-dibenzothiophen-2-ylquinoxalin-2-yl)benzo[c]carbazole;9-benzo[b]carbazol-5-yl-7-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[c]carbazole;9-benzo[b]carbazol-5-yl-7-(3-dibenzothiophen-2-ylquinoxalin-2-yl)benzo[c]carbazole;methane
CID 163590866
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
12-[4-(9-phenylcarbazol-3-yl)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 71109102
9-carbazol-9-yl-7-(4-dibenzothiophen-1-ylquinazolin-2-yl)benzo[c]carbazole
CID 162481219
3-carbazol-9-yl-9-[4-[7-[4-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-dibenzothiophen-2-ylquinazolin-7-yl]phenyl]dibenzofuran-2-yl]quinazolin-2-yl]carbazole
CID 139315619
7-(4-naphthalen-2-ylphenyl)-10-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[c]carbazole
CID 164784298
10-dibenzothiophen-4-yl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 168730639
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
3-(4-dibenzothiophen-2-ylphenyl)-9-[4-(3,5-diphenylphenyl)quinazolin-2-yl]carbazole
CID 118067250

Frequently Asked Questions

What is the IUPAC name of 10-carbazol-9-yl-7-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[c]carbazole?
The IUPAC name of 10-carbazol-9-yl-7-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[c]carbazole (CID 162481431) is 10-carbazol-9-yl-7-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[c]carbazole.
What is the SMILES notation for 10-carbazol-9-yl-7-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[c]carbazole?
The canonical SMILES for 10-carbazol-9-yl-7-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[c]carbazole is c1ccc2c(c1)ccc1c2c2cc(-n3c4ccccc4c4ccccc43)ccc2n1-c1nc(-c2ccc3sc4ccccc4c3c2)c2ccccc2n1.
What is the InChIKey of 10-carbazol-9-yl-7-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[c]carbazole?
The InChIKey is PCHFFOOZKQPCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N4S/c1-2-12-32-29(11-1)21-24-43-46(32)38-28-31(51-40-18-8-4-13-33(40)34-14-5-9-19-41(34)51)23-25-42(38)52(43)48-49-39-17-7-3-16-36(39)47(50-48)30-22-26-45-37(27-30)35-15-6-10-20-44(35)53-45/h1-28H.
What are the key properties of 10-carbazol-9-yl-7-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[c]carbazole?
10-carbazol-9-yl-7-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[c]carbazole has a molecular weight of 692.85 g/mol, XLogP of 13.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-carbazol-9-yl-7-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[c]carbazole is sourced from PubChem (CID 162481431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).