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

C48H28N4S — CID 162481266

IUPAC9-carbazol-9-yl-7-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[c]carbazole
SMILESc1ccc2c(c1)ccc1c2c2ccc(-n3c4ccccc4c4ccccc43)cc2n1-c1nc(-c2ccc3sc4ccccc4c3c2)c2ccccc2n1
InChIInChI=1S/C48H28N4S/c1-2-12-32-29(11-1)21-25-42-46(32)37-24-23-31(51-40-18-8-4-13-33(40)34-14-5-9-19-41(34)51)28-43(37)52(42)48-49-39-17-7-3-16-36(39)47(50-48)30-22-26-45-38(27-30)35-15-6-10-20-44(35)53-45/h1-28H
InChIKeyUSPIDVNBUHXNRR-UHFFFAOYSA-N
MW692.85 g/mol
LogP13.01
Rot. Bonds3

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

9-carbazol-9-yl-7-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[c]carbazole (PubChem CID 162481266) has the molecular formula C48H28N4S and a molecular weight of 692.85 g/mol. Its IUPAC name is 9-carbazol-9-yl-7-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[c]carbazole.

Molecular Properties

Compound Name9-carbazol-9-yl-7-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[c]carbazole
PubChem CID162481266
Molecular FormulaC48H28N4S
Molecular Weight692.85 g/mol
Exact Mass692.20
IUPAC Name9-carbazol-9-yl-7-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[c]carbazole
SMILESc1ccc2c(c1)ccc1c2c2ccc(-n3c4ccccc4c4ccccc43)cc2n1-c1nc(-c2ccc3sc4ccccc4c3c2)c2ccccc2n1
InChIInChI=1S/C48H28N4S/c1-2-12-32-29(11-1)21-25-42-46(32)37-24-23-31(51-40-18-8-4-13-33(40)34-14-5-9-19-41(34)51)28-43(37)52(42)48-49-39-17-7-3-16-36(39)47(50-48)30-22-26-45-38(27-30)35-15-6-10-20-44(35)53-45/h1-28H
InChIKeyUSPIDVNBUHXNRR-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

10-carbazol-9-yl-7-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[c]carbazole
CID 162481431
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
10-benzo[c]carbazol-7-yl-5-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[b]carbazole
CID 146374695
9-carbazol-9-yl-7-(4-dibenzothiophen-1-ylquinazolin-2-yl)benzo[c]carbazole
CID 162481219
10-benzo[c]carbazol-7-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole
CID 162481241
9-benzo[b]carbazol-5-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole
CID 162481400
9-benzo[a]carbazol-11-yl-7-(4-dibenzothiophen-3-ylquinazolin-2-yl)benzo[c]carbazole;9-benzo[a]carbazol-11-yl-7-(3-dibenzothiophen-3-ylquinoxalin-2-yl)benzo[c]carbazole;9-benzo[b]carbazol-5-yl-7-(4-dibenzothiophen-3-ylquinazolin-2-yl)benzo[c]carbazole;9-benzo[b]carbazol-5-yl-7-(3-dibenzothiophen-3-ylquinoxalin-2-yl)benzo[c]carbazole
CID 163688928
3-benzo[c]carbazol-7-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole
CID 146375569
3-[3-[2-[2-(9-benzo[c]carbazol-7-ylbenzo[c]carbazol-7-yl)quinazolin-4-yl]carbazol-9-yl]phenyl]-9-carbazol-9-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole
CID 166956013
22-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene
CID 154597887
12-[4-(9-phenylcarbazol-2-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 129149729
9-benzo[c]carbazol-7-yl-5-[7-(2-dibenzothiophen-3-ylquinazolin-4-yl)naphthalen-2-yl]benzo[b]carbazole
CID 146375186

Frequently Asked Questions

What is the IUPAC name of 9-carbazol-9-yl-7-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[c]carbazole?
The IUPAC name of 9-carbazol-9-yl-7-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[c]carbazole (CID 162481266) is 9-carbazol-9-yl-7-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[c]carbazole.
What is the SMILES notation for 9-carbazol-9-yl-7-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[c]carbazole?
The canonical SMILES for 9-carbazol-9-yl-7-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[c]carbazole is c1ccc2c(c1)ccc1c2c2ccc(-n3c4ccccc4c4ccccc43)cc2n1-c1nc(-c2ccc3sc4ccccc4c3c2)c2ccccc2n1.
What is the InChIKey of 9-carbazol-9-yl-7-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[c]carbazole?
The InChIKey is USPIDVNBUHXNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N4S/c1-2-12-32-29(11-1)21-25-42-46(32)37-24-23-31(51-40-18-8-4-13-33(40)34-14-5-9-19-41(34)51)28-43(37)52(42)48-49-39-17-7-3-16-36(39)47(50-48)30-22-26-45-38(27-30)35-15-6-10-20-44(35)53-45/h1-28H.
What are the key properties of 9-carbazol-9-yl-7-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[c]carbazole?
9-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 9-carbazol-9-yl-7-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[c]carbazole is sourced from PubChem (CID 162481266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).