8-benzo[b]carbazol-5-yl-5-[6-(3-fluoranthen-3-ylquinoxalin-2-yl)naphthalen-2-yl]benzo[b]carbazole

C66H38N4 — CID 146375358

IUPAC8-benzo[b]carbazol-5-yl-5-[6-(3-fluoranthen-3-ylquinoxalin-2-yl)naphthalen-2-yl]benzo[b]carbazole
SMILESc1ccc2c(c1)-c1cccc3c(-c4nc5ccccc5nc4-c4ccc5cc(-n6c7ccccc7c7cc8ccc(-n9c%10ccccc%10c%10cc%11ccccc%11cc%109)cc8cc76)ccc5c4)ccc-2c13
InChIInChI=1S/C66H38N4/c1-2-13-40-37-62-56(35-39(40)12-1)50-16-5-10-23-61(50)70(62)47-29-27-43-36-57-51-17-6-9-22-60(51)69(63(57)38-45(43)34-47)46-28-26-41-32-44(25-24-42(41)33-46)65-66(68-59-21-8-7-20-58(59)67-65)55-31-30-54-49-15-4-3-14-48(49)52-18-11-19-53(55)64(52)54/h1-38H
InChIKeyVTOVFRCDGKHBBV-UHFFFAOYSA-N
MW887.06 g/mol
LogP17.42
Rot. Bonds4

About 8-benzo[b]carbazol-5-yl-5-[6-(3-fluoranthen-3-ylquinoxalin-2-yl)naphthalen-2-yl]benzo[b]carbazole

8-benzo[b]carbazol-5-yl-5-[6-(3-fluoranthen-3-ylquinoxalin-2-yl)naphthalen-2-yl]benzo[b]carbazole (PubChem CID 146375358) has the molecular formula C66H38N4 and a molecular weight of 887.06 g/mol. Its IUPAC name is 8-benzo[b]carbazol-5-yl-5-[6-(3-fluoranthen-3-ylquinoxalin-2-yl)naphthalen-2-yl]benzo[b]carbazole.

Molecular Properties

Compound Name8-benzo[b]carbazol-5-yl-5-[6-(3-fluoranthen-3-ylquinoxalin-2-yl)naphthalen-2-yl]benzo[b]carbazole
PubChem CID146375358
Molecular FormulaC66H38N4
Molecular Weight887.06 g/mol
Exact Mass886.31
IUPAC Name8-benzo[b]carbazol-5-yl-5-[6-(3-fluoranthen-3-ylquinoxalin-2-yl)naphthalen-2-yl]benzo[b]carbazole
SMILESc1ccc2c(c1)-c1cccc3c(-c4nc5ccccc5nc4-c4ccc5cc(-n6c7ccccc7c7cc8ccc(-n9c%10ccccc%10c%10cc%11ccccc%11cc%109)cc8cc76)ccc5c4)ccc-2c13
InChIInChI=1S/C66H38N4/c1-2-13-40-37-62-56(35-39(40)12-1)50-16-5-10-23-61(50)70(62)47-29-27-43-36-57-51-17-6-9-22-60(51)69(63(57)38-45(43)34-47)46-28-26-41-32-44(25-24-42(41)33-46)65-66(68-59-21-8-7-20-58(59)67-65)55-31-30-54-49-15-4-3-14-48(49)52-18-11-19-53(55)64(52)54/h1-38H
InChIKeyVTOVFRCDGKHBBV-UHFFFAOYSA-N
XLogP17.42
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500887.06
LogP ≤ 517.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
3-benzo[c]carbazol-7-yl-5-[5-(3-phenanthren-2-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 146375849
2-benzo[b]carbazol-5-yl-5-[4-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole
CID 146375026
9-benzo[b]carbazol-5-yl-5-[3-(3-phenanthren-2-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 146375040
5-[12-[3-(3-phenylphenyl)quinoxalin-2-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-5-yl]benzo[b]carbazole
CID 170182991
9-benzo[c]carbazol-7-yl-5-[4-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 146375007
8-benzo[c]carbazol-7-yl-5-[6-(3-phenanthren-3-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 146375225
2-(9-naphthalen-2-ylcarbazol-2-yl)-5-(3-naphthalen-2-ylquinoxalin-2-yl)benzo[b]carbazole
CID 155114289
8-benzo[c]carbazol-7-yl-5-[3-(4-fluoranthen-3-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 146374843
1-benzo[c]carbazol-7-yl-5-[4-[3-(3,5-diphenylphenyl)quinoxalin-2-yl]naphthalen-1-yl]benzo[b]carbazole;1-benzo[c]carbazol-7-yl-5-[6-(3-naphthalen-1-ylquinoxalin-2-yl)naphthalen-2-yl]benzo[b]carbazole
CID 158527895
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
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

Frequently Asked Questions

What is the IUPAC name of 8-benzo[b]carbazol-5-yl-5-[6-(3-fluoranthen-3-ylquinoxalin-2-yl)naphthalen-2-yl]benzo[b]carbazole?
The IUPAC name of 8-benzo[b]carbazol-5-yl-5-[6-(3-fluoranthen-3-ylquinoxalin-2-yl)naphthalen-2-yl]benzo[b]carbazole (CID 146375358) is 8-benzo[b]carbazol-5-yl-5-[6-(3-fluoranthen-3-ylquinoxalin-2-yl)naphthalen-2-yl]benzo[b]carbazole.
What is the SMILES notation for 8-benzo[b]carbazol-5-yl-5-[6-(3-fluoranthen-3-ylquinoxalin-2-yl)naphthalen-2-yl]benzo[b]carbazole?
The canonical SMILES for 8-benzo[b]carbazol-5-yl-5-[6-(3-fluoranthen-3-ylquinoxalin-2-yl)naphthalen-2-yl]benzo[b]carbazole is c1ccc2c(c1)-c1cccc3c(-c4nc5ccccc5nc4-c4ccc5cc(-n6c7ccccc7c7cc8ccc(-n9c%10ccccc%10c%10cc%11ccccc%11cc%109)cc8cc76)ccc5c4)ccc-2c13.
What is the InChIKey of 8-benzo[b]carbazol-5-yl-5-[6-(3-fluoranthen-3-ylquinoxalin-2-yl)naphthalen-2-yl]benzo[b]carbazole?
The InChIKey is VTOVFRCDGKHBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H38N4/c1-2-13-40-37-62-56(35-39(40)12-1)50-16-5-10-23-61(50)70(62)47-29-27-43-36-57-51-17-6-9-22-60(51)69(63(57)38-45(43)34-47)46-28-26-41-32-44(25-24-42(41)33-46)65-66(68-59-21-8-7-20-58(59)67-65)55-31-30-54-49-15-4-3-14-48(49)52-18-11-19-53(55)64(52)54/h1-38H.
What are the key properties of 8-benzo[b]carbazol-5-yl-5-[6-(3-fluoranthen-3-ylquinoxalin-2-yl)naphthalen-2-yl]benzo[b]carbazole?
8-benzo[b]carbazol-5-yl-5-[6-(3-fluoranthen-3-ylquinoxalin-2-yl)naphthalen-2-yl]benzo[b]carbazole has a molecular weight of 887.06 g/mol, XLogP of 17.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzo[b]carbazol-5-yl-5-[6-(3-fluoranthen-3-ylquinoxalin-2-yl)naphthalen-2-yl]benzo[b]carbazole is sourced from PubChem (CID 146375358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).