7-benzo[b]carbazol-5-yl-5-[5-(3-dibenzothiophen-1-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole

C62H36N4S — CID 146375280

IUPAC7-benzo[b]carbazol-5-yl-5-[5-(3-dibenzothiophen-1-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1cccc2cc3c4ccccc4n(-c4cccc5c(-c6nc7ccccc7nc6-c6cccc7sc8ccccc8c67)cccc45)c3cc12
InChIInChI=1S/C62H36N4S/c1-2-16-38-35-56-48(33-37(38)15-1)42-18-3-9-28-53(42)66(56)55-29-11-17-39-34-49-43-19-4-8-27-52(43)65(57(49)36-47(39)55)54-30-13-21-40-41(54)22-12-23-44(40)61-62(64-51-26-7-6-25-50(51)63-61)46-24-14-32-59-60(46)45-20-5-10-31-58(45)67-59/h1-36H
InChIKeyRGXVJSLJNMGKJE-UHFFFAOYSA-N
MW869.07 g/mol
LogP16.99
Rot. Bonds4

About 7-benzo[b]carbazol-5-yl-5-[5-(3-dibenzothiophen-1-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole

7-benzo[b]carbazol-5-yl-5-[5-(3-dibenzothiophen-1-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole (PubChem CID 146375280) has the molecular formula C62H36N4S and a molecular weight of 869.07 g/mol. Its IUPAC name is 7-benzo[b]carbazol-5-yl-5-[5-(3-dibenzothiophen-1-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole.

Molecular Properties

Compound Name7-benzo[b]carbazol-5-yl-5-[5-(3-dibenzothiophen-1-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole
PubChem CID146375280
Molecular FormulaC62H36N4S
Molecular Weight869.07 g/mol
Exact Mass868.27
IUPAC Name7-benzo[b]carbazol-5-yl-5-[5-(3-dibenzothiophen-1-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1cccc2cc3c4ccccc4n(-c4cccc5c(-c6nc7ccccc7nc6-c6cccc7sc8ccccc8c67)cccc45)c3cc12
InChIInChI=1S/C62H36N4S/c1-2-16-38-35-56-48(33-37(38)15-1)42-18-3-9-28-53(42)66(56)55-29-11-17-39-34-49-43-19-4-8-27-52(43)65(57(49)36-47(39)55)54-30-13-21-40-41(54)22-12-23-44(40)61-62(64-51-26-7-6-25-50(51)63-61)46-24-14-32-59-60(46)45-20-5-10-31-58(45)67-59/h1-36H
InChIKeyRGXVJSLJNMGKJE-UHFFFAOYSA-N
XLogP16.99
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500869.07
LogP ≤ 516.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-benzo[a]carbazol-11-yl-5-[5-(3-dibenzothiophen-1-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 146374825
10-benzo[b]carbazol-5-yl-5-(3-dibenzothiophen-4-ylquinoxalin-2-yl)benzo[b]carbazole
CID 146375388
5-(2-dibenzothiophen-1-ylquinazolin-4-yl)benzo[b]carbazole
CID 139361333
7-carbazol-9-yl-5-[5-[3-(9-phenylcarbazol-4-yl)quinoxalin-2-yl]naphthalen-2-yl]benzo[b]carbazole
CID 146374777
7-benzo[a]carbazol-11-yl-5-[5-(3-dibenzofuran-1-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole;7-benzo[a]carbazol-11-yl-5-[5-(3-dibenzothiophen-1-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole;3-benzo[a]carbazol-11-yl-5-[5-[3-(9,9-dimethylfluoren-1-yl)quinoxalin-2-yl]naphthalen-2-yl]benzo[b]carbazole
CID 162131598
5-[5-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 146621153
5-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 146621257
1-benzo[b]carbazol-5-yl-5-[5-[3-(3,5-diphenylphenyl)quinoxalin-2-yl]naphthalen-1-yl]benzo[b]carbazole;1-benzo[b]carbazol-5-yl-5-[5-[3-(4-phenylphenyl)quinoxalin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 158497164
5-[4-[4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 146621951
11-benzo[b]carbazol-5-yl-5-[4-(3-dibenzothiophen-1-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole;11-benzo[b]carbazol-5-yl-5-[3-[3-(9-phenylcarbazol-4-yl)quinoxalin-2-yl]phenyl]benzo[b]carbazole
CID 161309106
7-carbazol-9-yl-5-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[b]carbazole
CID 146375444
3-benzo[c]carbazol-7-yl-5-[6-(3-dibenzofuran-1-ylquinoxalin-2-yl)naphthalen-2-yl]benzo[b]carbazole;3-benzo[c]carbazol-7-yl-5-[7-(3-dibenzothiophen-1-ylquinoxalin-2-yl)naphthalen-2-yl]benzo[b]carbazole
CID 160724144

Frequently Asked Questions

What is the IUPAC name of 7-benzo[b]carbazol-5-yl-5-[5-(3-dibenzothiophen-1-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole?
The IUPAC name of 7-benzo[b]carbazol-5-yl-5-[5-(3-dibenzothiophen-1-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole (CID 146375280) is 7-benzo[b]carbazol-5-yl-5-[5-(3-dibenzothiophen-1-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole.
What is the SMILES notation for 7-benzo[b]carbazol-5-yl-5-[5-(3-dibenzothiophen-1-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole?
The canonical SMILES for 7-benzo[b]carbazol-5-yl-5-[5-(3-dibenzothiophen-1-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole is c1ccc2cc3c(cc2c1)c1ccccc1n3-c1cccc2cc3c4ccccc4n(-c4cccc5c(-c6nc7ccccc7nc6-c6cccc7sc8ccccc8c67)cccc45)c3cc12.
What is the InChIKey of 7-benzo[b]carbazol-5-yl-5-[5-(3-dibenzothiophen-1-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole?
The InChIKey is RGXVJSLJNMGKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H36N4S/c1-2-16-38-35-56-48(33-37(38)15-1)42-18-3-9-28-53(42)66(56)55-29-11-17-39-34-49-43-19-4-8-27-52(43)65(57(49)36-47(39)55)54-30-13-21-40-41(54)22-12-23-44(40)61-62(64-51-26-7-6-25-50(51)63-61)46-24-14-32-59-60(46)45-20-5-10-31-58(45)67-59/h1-36H.
What are the key properties of 7-benzo[b]carbazol-5-yl-5-[5-(3-dibenzothiophen-1-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole?
7-benzo[b]carbazol-5-yl-5-[5-(3-dibenzothiophen-1-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole has a molecular weight of 869.07 g/mol, XLogP of 16.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzo[b]carbazol-5-yl-5-[5-(3-dibenzothiophen-1-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole is sourced from PubChem (CID 146375280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).