7-carbazol-9-yl-5-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[b]carbazole

C48H28N4S — CID 146375444

IUPAC7-carbazol-9-yl-5-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[b]carbazole
SMILESc1cc(-n2c3ccccc3c3ccccc32)c2cc3c(cc2c1)c1ccccc1n3-c1nc(-c2ccc3sc4ccccc4c3c2)c2ccccc2n1
InChIInChI=1S/C48H28N4S/c1-6-18-39-35(17-1)47(30-24-25-46-38(27-30)34-16-5-10-23-45(34)53-46)50-48(49-39)52-42-21-9-4-15-33(42)37-26-29-12-11-22-43(36(29)28-44(37)52)51-40-19-7-2-13-31(40)32-14-3-8-20-41(32)51/h1-28H
InChIKeyKUQDSHCBMUBAQX-UHFFFAOYSA-N
MW692.85 g/mol
LogP13.01
Rot. Bonds3

About 7-carbazol-9-yl-5-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[b]carbazole

7-carbazol-9-yl-5-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[b]carbazole (PubChem CID 146375444) has the molecular formula C48H28N4S and a molecular weight of 692.85 g/mol. Its IUPAC name is 7-carbazol-9-yl-5-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[b]carbazole.

Molecular Properties

Compound Name7-carbazol-9-yl-5-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[b]carbazole
PubChem CID146375444
Molecular FormulaC48H28N4S
Molecular Weight692.85 g/mol
Exact Mass692.20
IUPAC Name7-carbazol-9-yl-5-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[b]carbazole
SMILESc1cc(-n2c3ccccc3c3ccccc32)c2cc3c(cc2c1)c1ccccc1n3-c1nc(-c2ccc3sc4ccccc4c3c2)c2ccccc2n1
InChIInChI=1S/C48H28N4S/c1-6-18-39-35(17-1)47(30-24-25-46-38(27-30)34-16-5-10-23-45(34)53-46)50-48(49-39)52-42-21-9-4-15-33(42)37-26-29-12-11-22-43(36(29)28-44(37)52)51-40-19-7-2-13-31(40)32-14-3-8-20-41(32)51/h1-28H
InChIKeyKUQDSHCBMUBAQX-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-benzo[c]carbazol-7-yl-5-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[b]carbazole
CID 146374695
7-carbazol-9-yl-5-(4-dibenzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole;7-carbazol-9-yl-5-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[b]carbazole;7-carbazol-9-yl-5-[4-(9,9-dimethylfluoren-4-yl)quinazolin-2-yl]benzo[b]carbazole
CID 159689558
11-[4-(4-methylphenyl)quinazolin-2-yl]-[1]benzothiolo[3,2-b]carbazole
CID 147883885
3-(4-dibenzothiophen-2-ylphenyl)-9-[4-(3,5-diphenylphenyl)quinazolin-2-yl]carbazole
CID 118067250
7-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-b]carbazole
CID 129254561
5-naphthalen-1-yl-11-[4-(4-phenylphenyl)quinazolin-2-yl]indolo[3,2-b]carbazole
CID 138623408
10-benzo[b]carbazol-5-yl-5-(4-dibenzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole
CID 146375631
9-carbazol-9-yl-7-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[c]carbazole
CID 162481266
10-carbazol-9-yl-7-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[c]carbazole
CID 162481431
22-(4-phenylquinazolin-2-yl)-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene
CID 122466175
7-[4-(9-naphthalen-1-ylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole
CID 71109103
15-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 126702033

Frequently Asked Questions

What is the IUPAC name of 7-carbazol-9-yl-5-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[b]carbazole?
The IUPAC name of 7-carbazol-9-yl-5-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[b]carbazole (CID 146375444) is 7-carbazol-9-yl-5-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[b]carbazole.
What is the SMILES notation for 7-carbazol-9-yl-5-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[b]carbazole?
The canonical SMILES for 7-carbazol-9-yl-5-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[b]carbazole is c1cc(-n2c3ccccc3c3ccccc32)c2cc3c(cc2c1)c1ccccc1n3-c1nc(-c2ccc3sc4ccccc4c3c2)c2ccccc2n1.
What is the InChIKey of 7-carbazol-9-yl-5-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[b]carbazole?
The InChIKey is KUQDSHCBMUBAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N4S/c1-6-18-39-35(17-1)47(30-24-25-46-38(27-30)34-16-5-10-23-45(34)53-46)50-48(49-39)52-42-21-9-4-15-33(42)37-26-29-12-11-22-43(36(29)28-44(37)52)51-40-19-7-2-13-31(40)32-14-3-8-20-41(32)51/h1-28H.
What are the key properties of 7-carbazol-9-yl-5-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[b]carbazole?
7-carbazol-9-yl-5-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[b]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 7-carbazol-9-yl-5-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[b]carbazole is sourced from PubChem (CID 146375444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).