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

C62H36N4O — CID 146375343

IUPAC7-benzo[b]carbazol-5-yl-5-[5-(3-dibenzofuran-2-ylquinoxalin-2-yl)naphthalen-2-yl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1cccc2cc3c4ccccc4n(-c4ccc5c(-c6nc7ccccc7nc6-c6ccc7oc8ccccc8c7c6)cccc5c4)c3cc12
InChIInChI=1S/C62H36N4O/c1-2-14-38-35-57-49(32-37(38)13-1)45-18-4-9-24-55(45)66(57)56-25-12-16-40-33-50-44-17-3-8-23-54(44)65(58(50)36-48(40)56)42-28-29-43-39(31-42)15-11-20-47(43)62-61(63-52-21-6-7-22-53(52)64-62)41-27-30-60-51(34-41)46-19-5-10-26-59(46)67-60/h1-36H
InChIKeyQTYKMLRRXZRWKY-UHFFFAOYSA-N
MW853.00 g/mol
LogP16.52
Rot. Bonds4

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

7-benzo[b]carbazol-5-yl-5-[5-(3-dibenzofuran-2-ylquinoxalin-2-yl)naphthalen-2-yl]benzo[b]carbazole (PubChem CID 146375343) has the molecular formula C62H36N4O and a molecular weight of 853.00 g/mol. Its IUPAC name is 7-benzo[b]carbazol-5-yl-5-[5-(3-dibenzofuran-2-ylquinoxalin-2-yl)naphthalen-2-yl]benzo[b]carbazole.

Molecular Properties

Compound Name7-benzo[b]carbazol-5-yl-5-[5-(3-dibenzofuran-2-ylquinoxalin-2-yl)naphthalen-2-yl]benzo[b]carbazole
PubChem CID146375343
Molecular FormulaC62H36N4O
Molecular Weight853.00 g/mol
Exact Mass852.29
IUPAC Name7-benzo[b]carbazol-5-yl-5-[5-(3-dibenzofuran-2-ylquinoxalin-2-yl)naphthalen-2-yl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1cccc2cc3c4ccccc4n(-c4ccc5c(-c6nc7ccccc7nc6-c6ccc7oc8ccccc8c7c6)cccc5c4)c3cc12
InChIInChI=1S/C62H36N4O/c1-2-14-38-35-57-49(32-37(38)13-1)45-18-4-9-24-55(45)66(57)56-25-12-16-40-33-50-44-17-3-8-23-54(44)65(58(50)36-48(40)56)42-28-29-43-39(31-42)15-11-20-47(43)62-61(63-52-21-6-7-22-53(52)64-62)41-27-30-60-51(34-41)46-19-5-10-26-59(46)67-60/h1-36H
InChIKeyQTYKMLRRXZRWKY-UHFFFAOYSA-N
XLogP16.52
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500853.00
LogP ≤ 516.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

10-benzo[b]carbazol-5-yl-5-(4-dibenzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole
CID 146375631
3-benzo[c]carbazol-7-yl-5-[5-(3-phenanthren-2-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 146375849
7-carbazol-9-yl-5-[5-[3-(9-phenylcarbazol-4-yl)quinoxalin-2-yl]naphthalen-2-yl]benzo[b]carbazole
CID 146374777
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
9-(10-dibenzofuran-2-yltetracen-1-yl)carbazole;ethane
CID 145009292
8-benzo[c]carbazol-7-yl-5-[6-(3-phenanthren-3-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 146375225
9-benzo[c]carbazol-7-yl-5-[4-(3-fluoranthen-3-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole;1-benzo[c]carbazol-7-yl-5-[5-(3-triphenylen-2-ylquinoxalin-2-yl)naphthalen-2-yl]benzo[b]carbazole
CID 158148943
8-benzo[b]carbazol-5-yl-5-[6-(3-fluoranthen-3-ylquinoxalin-2-yl)naphthalen-2-yl]benzo[b]carbazole
CID 146375358
9-benzo[b]carbazol-5-yl-5-[3-(3-phenanthren-2-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 146375040
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
9-benzo[a]carbazol-11-yl-5-[5-(4-dibenzofuran-3-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 146375982
5-[3-dibenzofuran-1-yl-4-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155430580

Frequently Asked Questions

What is the IUPAC name of 7-benzo[b]carbazol-5-yl-5-[5-(3-dibenzofuran-2-ylquinoxalin-2-yl)naphthalen-2-yl]benzo[b]carbazole?
The IUPAC name of 7-benzo[b]carbazol-5-yl-5-[5-(3-dibenzofuran-2-ylquinoxalin-2-yl)naphthalen-2-yl]benzo[b]carbazole (CID 146375343) is 7-benzo[b]carbazol-5-yl-5-[5-(3-dibenzofuran-2-ylquinoxalin-2-yl)naphthalen-2-yl]benzo[b]carbazole.
What is the SMILES notation for 7-benzo[b]carbazol-5-yl-5-[5-(3-dibenzofuran-2-ylquinoxalin-2-yl)naphthalen-2-yl]benzo[b]carbazole?
The canonical SMILES for 7-benzo[b]carbazol-5-yl-5-[5-(3-dibenzofuran-2-ylquinoxalin-2-yl)naphthalen-2-yl]benzo[b]carbazole is c1ccc2cc3c(cc2c1)c1ccccc1n3-c1cccc2cc3c4ccccc4n(-c4ccc5c(-c6nc7ccccc7nc6-c6ccc7oc8ccccc8c7c6)cccc5c4)c3cc12.
What is the InChIKey of 7-benzo[b]carbazol-5-yl-5-[5-(3-dibenzofuran-2-ylquinoxalin-2-yl)naphthalen-2-yl]benzo[b]carbazole?
The InChIKey is QTYKMLRRXZRWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H36N4O/c1-2-14-38-35-57-49(32-37(38)13-1)45-18-4-9-24-55(45)66(57)56-25-12-16-40-33-50-44-17-3-8-23-54(44)65(58(50)36-48(40)56)42-28-29-43-39(31-42)15-11-20-47(43)62-61(63-52-21-6-7-22-53(52)64-62)41-27-30-60-51(34-41)46-19-5-10-26-59(46)67-60/h1-36H.
What are the key properties of 7-benzo[b]carbazol-5-yl-5-[5-(3-dibenzofuran-2-ylquinoxalin-2-yl)naphthalen-2-yl]benzo[b]carbazole?
7-benzo[b]carbazol-5-yl-5-[5-(3-dibenzofuran-2-ylquinoxalin-2-yl)naphthalen-2-yl]benzo[b]carbazole has a molecular weight of 853.00 g/mol, XLogP of 16.52, 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-dibenzofuran-2-ylquinoxalin-2-yl)naphthalen-2-yl]benzo[b]carbazole is sourced from PubChem (CID 146375343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).