7-benzo[a]carbazol-11-yl-5-[5-(3-dibenzothiophen-1-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole

C62H36N4S — CID 146374825

IUPAC7-benzo[a]carbazol-11-yl-5-[5-(3-dibenzothiophen-1-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole
SMILESc1cc(-n2c3ccccc3c3ccc4ccccc4c32)c2cc3c(cc2c1)c1ccccc1n3-c1cccc2c(-c3nc4ccccc4nc3-c3cccc4sc5ccccc5c34)cccc12
InChIInChI=1S/C62H36N4S/c1-2-17-39-37(15-1)33-34-45-42-18-3-9-28-54(42)66(62(39)45)55-29-11-16-38-35-49-43-19-4-8-27-52(43)65(56(49)36-48(38)55)53-30-13-21-40-41(53)22-12-23-44(40)60-61(64-51-26-7-6-25-50(51)63-60)47-24-14-32-58-59(47)46-20-5-10-31-57(46)67-58/h1-36H
InChIKeyBBMHQXPBUJFNIY-UHFFFAOYSA-N
MW869.07 g/mol
LogP16.99
Rot. Bonds4

About 7-benzo[a]carbazol-11-yl-5-[5-(3-dibenzothiophen-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 (PubChem CID 146374825) has the molecular formula C62H36N4S and a molecular weight of 869.07 g/mol. Its IUPAC name is 7-benzo[a]carbazol-11-yl-5-[5-(3-dibenzothiophen-1-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole.

Molecular Properties

Compound Name7-benzo[a]carbazol-11-yl-5-[5-(3-dibenzothiophen-1-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole
PubChem CID146374825
Molecular FormulaC62H36N4S
Molecular Weight869.07 g/mol
Exact Mass868.27
IUPAC Name7-benzo[a]carbazol-11-yl-5-[5-(3-dibenzothiophen-1-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole
SMILESc1cc(-n2c3ccccc3c3ccc4ccccc4c32)c2cc3c(cc2c1)c1ccccc1n3-c1cccc2c(-c3nc4ccccc4nc3-c3cccc4sc5ccccc5c34)cccc12
InChIInChI=1S/C62H36N4S/c1-2-17-39-37(15-1)33-34-45-42-18-3-9-28-54(42)66(62(39)45)55-29-11-16-38-35-49-43-19-4-8-27-52(43)65(56(49)36-48(38)55)53-30-13-21-40-41(53)22-12-23-44(40)60-61(64-51-26-7-6-25-50(51)63-60)47-24-14-32-58-59(47)46-20-5-10-31-57(46)67-58/h1-36H
InChIKeyBBMHQXPBUJFNIY-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[b]carbazol-5-yl-5-[5-(3-dibenzothiophen-1-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 146375280
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
10-benzo[a]carbazol-11-yl-7-(3-dibenzothiophen-1-ylquinoxalin-2-yl)benzo[c]carbazole
CID 162481137
11-benzo[a]carbazol-11-yl-5-[4-(3-dibenzothiophen-1-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole
CID 146374812
7-carbazol-9-yl-5-[5-[3-(9-phenylcarbazol-4-yl)quinoxalin-2-yl]naphthalen-2-yl]benzo[b]carbazole
CID 146374777
1-benzo[a]carbazol-11-yl-5-[4-(3-naphthalen-2-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole;1-benzo[a]carbazol-11-yl-5-[4-(3-phenylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 159790900
10-benzo[b]carbazol-5-yl-5-(3-dibenzothiophen-4-ylquinoxalin-2-yl)benzo[b]carbazole
CID 146375388
2-benzo[a]carbazol-11-yl-5-[6-(3-naphthalen-1-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole;2-benzo[a]carbazol-11-yl-5-[6-(3-triphenylen-2-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 159658375
3-(9-dibenzothiophen-1-ylcarbazol-3-yl)-9-phenanthren-1-ylcarbazole
CID 163630750
5-[5-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 146621153
3-benzo[a]carbazol-11-yl-5-(3-dibenzothiophen-4-ylquinoxalin-2-yl)benzo[b]carbazole
CID 146375318
1-benzo[a]carbazol-11-yl-5-[5-[3-(3,5-diphenylphenyl)quinoxalin-2-yl]naphthalen-1-yl]benzo[b]carbazole;1-benzo[a]carbazol-11-yl-5-[6-(3-naphthalen-1-ylquinoxalin-2-yl)naphthalen-2-yl]benzo[b]carbazole
CID 161202682

Frequently Asked Questions

What is the IUPAC name of 7-benzo[a]carbazol-11-yl-5-[5-(3-dibenzothiophen-1-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole?
The IUPAC name of 7-benzo[a]carbazol-11-yl-5-[5-(3-dibenzothiophen-1-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole (CID 146374825) is 7-benzo[a]carbazol-11-yl-5-[5-(3-dibenzothiophen-1-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole.
What is the SMILES notation for 7-benzo[a]carbazol-11-yl-5-[5-(3-dibenzothiophen-1-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole?
The canonical SMILES for 7-benzo[a]carbazol-11-yl-5-[5-(3-dibenzothiophen-1-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole is c1cc(-n2c3ccccc3c3ccc4ccccc4c32)c2cc3c(cc2c1)c1ccccc1n3-c1cccc2c(-c3nc4ccccc4nc3-c3cccc4sc5ccccc5c34)cccc12.
What is the InChIKey of 7-benzo[a]carbazol-11-yl-5-[5-(3-dibenzothiophen-1-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole?
The InChIKey is BBMHQXPBUJFNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H36N4S/c1-2-17-39-37(15-1)33-34-45-42-18-3-9-28-54(42)66(62(39)45)55-29-11-16-38-35-49-43-19-4-8-27-52(43)65(56(49)36-48(38)55)53-30-13-21-40-41(53)22-12-23-44(40)60-61(64-51-26-7-6-25-50(51)63-60)47-24-14-32-58-59(47)46-20-5-10-31-57(46)67-58/h1-36H.
What are the key properties of 7-benzo[a]carbazol-11-yl-5-[5-(3-dibenzothiophen-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 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[a]carbazol-11-yl-5-[5-(3-dibenzothiophen-1-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole is sourced from PubChem (CID 146374825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).