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

C52H30N4S — CID 146374695

IUPAC10-benzo[c]carbazol-7-yl-5-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[b]carbazole
SMILESc1cc(-n2c3ccccc3c3c4ccccc4ccc32)c2cc3c4ccccc4n(-c4nc(-c5ccc6sc7ccccc7c6c5)c5ccccc5n4)c3cc2c1
InChIInChI=1S/C52H30N4S/c1-2-14-34-31(12-1)24-26-46-50(34)38-18-5-9-21-44(38)55(46)45-22-11-13-32-29-47-40(30-39(32)45)35-15-4-8-20-43(35)56(47)52-53-42-19-7-3-17-37(42)51(54-52)33-25-27-49-41(28-33)36-16-6-10-23-48(36)57-49/h1-30H
InChIKeySCNLSCGTLBAVOQ-UHFFFAOYSA-N
MW742.91 g/mol
LogP14.17
Rot. Bonds3

About 10-benzo[c]carbazol-7-yl-5-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[b]carbazole

10-benzo[c]carbazol-7-yl-5-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[b]carbazole (PubChem CID 146374695) has the molecular formula C52H30N4S and a molecular weight of 742.91 g/mol. Its IUPAC name is 10-benzo[c]carbazol-7-yl-5-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[b]carbazole.

Molecular Properties

Compound Name10-benzo[c]carbazol-7-yl-5-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[b]carbazole
PubChem CID146374695
Molecular FormulaC52H30N4S
Molecular Weight742.91 g/mol
Exact Mass742.22
IUPAC Name10-benzo[c]carbazol-7-yl-5-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[b]carbazole
SMILESc1cc(-n2c3ccccc3c3c4ccccc4ccc32)c2cc3c4ccccc4n(-c4nc(-c5ccc6sc7ccccc7c6c5)c5ccccc5n4)c3cc2c1
InChIInChI=1S/C52H30N4S/c1-2-14-34-31(12-1)24-26-46-50(34)38-18-5-9-21-44(38)55(46)45-22-11-13-32-29-47-40(30-39(32)45)35-15-4-8-20-43(35)56(47)52-53-42-19-7-3-17-37(42)51(54-52)33-25-27-49-41(28-33)36-16-6-10-23-48(36)57-49/h1-30H
InChIKeySCNLSCGTLBAVOQ-UHFFFAOYSA-N
XLogP14.17
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.91
LogP ≤ 514.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-carbazol-9-yl-5-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[b]carbazole
CID 146375444
9-carbazol-9-yl-7-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[c]carbazole
CID 162481266
7-[4-(9-naphthalen-1-ylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole
CID 71109103
10-carbazol-9-yl-7-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[c]carbazole
CID 162481431
11-(4-dibenzothiophen-2-ylquinazolin-2-yl)-1,11-diazaoctacyclo[17.10.1.02,18.03,15.04,12.05,10.023,30.024,29]triaconta-2(18),3(15),4(12),5,7,9,13,16,19,21,23(30),24,26,28-tetradecaene
CID 142290443
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-naphthalen-1-yl-20-(4-phenylquinazolin-2-yl)-15-thia-10,20-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene
CID 118242883
2-dibenzothiophen-4-yl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole;3-(9-phenylcarbazol-3-yl)-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 159438708
10-dibenzothiophen-4-yl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 168730639
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
10-benzo[b]carbazol-5-yl-5-(4-dibenzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole
CID 146375631

Frequently Asked Questions

What is the IUPAC name of 10-benzo[c]carbazol-7-yl-5-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[b]carbazole?
The IUPAC name of 10-benzo[c]carbazol-7-yl-5-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[b]carbazole (CID 146374695) is 10-benzo[c]carbazol-7-yl-5-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[b]carbazole.
What is the SMILES notation for 10-benzo[c]carbazol-7-yl-5-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[b]carbazole?
The canonical SMILES for 10-benzo[c]carbazol-7-yl-5-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[b]carbazole is c1cc(-n2c3ccccc3c3c4ccccc4ccc32)c2cc3c4ccccc4n(-c4nc(-c5ccc6sc7ccccc7c6c5)c5ccccc5n4)c3cc2c1.
What is the InChIKey of 10-benzo[c]carbazol-7-yl-5-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[b]carbazole?
The InChIKey is SCNLSCGTLBAVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30N4S/c1-2-14-34-31(12-1)24-26-46-50(34)38-18-5-9-21-44(38)55(46)45-22-11-13-32-29-47-40(30-39(32)45)35-15-4-8-20-43(35)56(47)52-53-42-19-7-3-17-37(42)51(54-52)33-25-27-49-41(28-33)36-16-6-10-23-48(36)57-49/h1-30H.
What are the key properties of 10-benzo[c]carbazol-7-yl-5-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[b]carbazole?
10-benzo[c]carbazol-7-yl-5-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[b]carbazole has a molecular weight of 742.91 g/mol, XLogP of 14.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-benzo[c]carbazol-7-yl-5-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[b]carbazole is sourced from PubChem (CID 146374695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).