2-benzo[b]carbazol-5-yl-5-[4-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole

C56H34N4 — CID 146375026

IUPAC2-benzo[b]carbazol-5-yl-5-[4-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole
SMILESc1ccc2cc(-c3nc4ccccc4nc3-c3ccc(-n4c5ccc(-n6c7ccccc7c7cc8ccccc8cc76)cc5c5cc6ccccc6cc54)cc3)ccc2c1
InChIInChI=1S/C56H34N4/c1-2-12-37-29-42(22-21-35(37)11-1)56-55(57-49-18-8-9-19-50(49)58-56)36-23-25-43(26-24-36)59-52-28-27-44(34-48(52)47-31-39-14-4-6-16-41(39)33-54(47)59)60-51-20-10-7-17-45(51)46-30-38-13-3-5-15-40(38)32-53(46)60/h1-34H
InChIKeyZKAIPVMQKOUIIA-UHFFFAOYSA-N
MW762.92 g/mol
LogP14.62
Rot. Bonds4

About 2-benzo[b]carbazol-5-yl-5-[4-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole

2-benzo[b]carbazol-5-yl-5-[4-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole (PubChem CID 146375026) has the molecular formula C56H34N4 and a molecular weight of 762.92 g/mol. Its IUPAC name is 2-benzo[b]carbazol-5-yl-5-[4-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole.

Molecular Properties

Compound Name2-benzo[b]carbazol-5-yl-5-[4-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole
PubChem CID146375026
Molecular FormulaC56H34N4
Molecular Weight762.92 g/mol
Exact Mass762.28
IUPAC Name2-benzo[b]carbazol-5-yl-5-[4-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole
SMILESc1ccc2cc(-c3nc4ccccc4nc3-c3ccc(-n4c5ccc(-n6c7ccccc7c7cc8ccccc8cc76)cc5c5cc6ccccc6cc54)cc3)ccc2c1
InChIInChI=1S/C56H34N4/c1-2-12-37-29-42(22-21-35(37)11-1)56-55(57-49-18-8-9-19-50(49)58-56)36-23-25-43(26-24-36)59-52-28-27-44(34-48(52)47-31-39-14-4-6-16-41(39)33-54(47)59)60-51-20-10-7-17-45(51)46-30-38-13-3-5-15-40(38)32-53(46)60/h1-34H
InChIKeyZKAIPVMQKOUIIA-UHFFFAOYSA-N
XLogP14.62
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.92
LogP ≤ 514.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(9-naphthalen-2-ylcarbazol-2-yl)-5-(3-naphthalen-2-ylquinoxalin-2-yl)benzo[b]carbazole
CID 155114289
9-benzo[b]carbazol-5-yl-5-[3-(3-phenanthren-2-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 146375040
8-benzo[b]carbazol-5-yl-5-[6-(3-fluoranthen-3-ylquinoxalin-2-yl)naphthalen-2-yl]benzo[b]carbazole
CID 146375358
2-benzo[b]carbazol-5-yl-5-(2-naphthalen-2-ylquinazolin-4-yl)benzo[b]carbazole
CID 146375305
4-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-N-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline
CID 59489369
2,5-bis(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 148676628
8-benzo[c]carbazol-7-yl-5-[6-(3-phenanthren-3-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 146375225
9-phenyl-3-(4-phenylphenyl)-6-[9-[4-(3-phenylquinoxalin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 59489317
2-carbazol-9-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 146374838
2-benzo[c]carbazol-7-yl-5-[3-(4-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole
CID 146375178
3-benzo[c]carbazol-7-yl-5-[5-(3-phenanthren-2-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 146375849
12-phenyl-16-[4-(3-phenylquinoxalin-2-yl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 134222275

Frequently Asked Questions

What is the IUPAC name of 2-benzo[b]carbazol-5-yl-5-[4-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole?
The IUPAC name of 2-benzo[b]carbazol-5-yl-5-[4-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole (CID 146375026) is 2-benzo[b]carbazol-5-yl-5-[4-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole.
What is the SMILES notation for 2-benzo[b]carbazol-5-yl-5-[4-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole?
The canonical SMILES for 2-benzo[b]carbazol-5-yl-5-[4-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole is c1ccc2cc(-c3nc4ccccc4nc3-c3ccc(-n4c5ccc(-n6c7ccccc7c7cc8ccccc8cc76)cc5c5cc6ccccc6cc54)cc3)ccc2c1.
What is the InChIKey of 2-benzo[b]carbazol-5-yl-5-[4-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole?
The InChIKey is ZKAIPVMQKOUIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N4/c1-2-12-37-29-42(22-21-35(37)11-1)56-55(57-49-18-8-9-19-50(49)58-56)36-23-25-43(26-24-36)59-52-28-27-44(34-48(52)47-31-39-14-4-6-16-41(39)33-54(47)59)60-51-20-10-7-17-45(51)46-30-38-13-3-5-15-40(38)32-53(46)60/h1-34H.
What are the key properties of 2-benzo[b]carbazol-5-yl-5-[4-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole?
2-benzo[b]carbazol-5-yl-5-[4-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole has a molecular weight of 762.92 g/mol, XLogP of 14.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[b]carbazol-5-yl-5-[4-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole is sourced from PubChem (CID 146375026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).