2-(9-naphthalen-2-ylcarbazol-2-yl)-5-(3-naphthalen-2-ylquinoxalin-2-yl)benzo[b]carbazole

C56H34N4 — CID 155114289

IUPAC2-(9-naphthalen-2-ylcarbazol-2-yl)-5-(3-naphthalen-2-ylquinoxalin-2-yl)benzo[b]carbazole
SMILESc1ccc2cc(-c3nc4ccccc4nc3-n3c4ccc(-c5ccc6c7ccccc7n(-c7ccc8ccccc8c7)c6c5)cc4c4cc5ccccc5cc43)ccc2c1
InChIInChI=1S/C56H34N4/c1-3-13-37-29-43(22-21-35(37)11-1)55-56(58-50-19-9-8-18-49(50)57-55)60-52-28-25-41(32-47(52)48-31-39-15-5-6-16-40(39)33-54(48)60)42-24-27-46-45-17-7-10-20-51(45)59(53(46)34-42)44-26-23-36-12-2-4-14-38(36)30-44/h1-34H
InChIKeyYHWSLDZQOZGVKV-UHFFFAOYSA-N
MW762.92 g/mol
LogP14.62
Rot. Bonds4

About 2-(9-naphthalen-2-ylcarbazol-2-yl)-5-(3-naphthalen-2-ylquinoxalin-2-yl)benzo[b]carbazole

2-(9-naphthalen-2-ylcarbazol-2-yl)-5-(3-naphthalen-2-ylquinoxalin-2-yl)benzo[b]carbazole (PubChem CID 155114289) has the molecular formula C56H34N4 and a molecular weight of 762.92 g/mol. Its IUPAC name is 2-(9-naphthalen-2-ylcarbazol-2-yl)-5-(3-naphthalen-2-ylquinoxalin-2-yl)benzo[b]carbazole.

Molecular Properties

Compound Name2-(9-naphthalen-2-ylcarbazol-2-yl)-5-(3-naphthalen-2-ylquinoxalin-2-yl)benzo[b]carbazole
PubChem CID155114289
Molecular FormulaC56H34N4
Molecular Weight762.92 g/mol
Exact Mass762.28
IUPAC Name2-(9-naphthalen-2-ylcarbazol-2-yl)-5-(3-naphthalen-2-ylquinoxalin-2-yl)benzo[b]carbazole
SMILESc1ccc2cc(-c3nc4ccccc4nc3-n3c4ccc(-c5ccc6c7ccccc7n(-c7ccc8ccccc8c7)c6c5)cc4c4cc5ccccc5cc43)ccc2c1
InChIInChI=1S/C56H34N4/c1-3-13-37-29-43(22-21-35(37)11-1)55-56(58-50-19-9-8-18-49(50)57-55)60-52-28-25-41(32-47(52)48-31-39-15-5-6-16-40(39)33-54(48)60)42-24-27-46-45-17-7-10-20-51(45)59(53(46)34-42)44-26-23-36-12-2-4-14-38(36)30-44/h1-34H
InChIKeyYHWSLDZQOZGVKV-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

5-(3-phenanthren-2-ylquinoxalin-2-yl)-2-phenylbenzo[b]carbazole
CID 146539824
2-benzo[b]carbazol-5-yl-5-[4-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole
CID 146375026
2-(9-phenylcarbazol-3-yl)-5-[3-(3-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole
CID 155114403
25-(7,9-diphenylcarbazol-3-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23(28),24,26-tetradecaene;25-(9-naphthalen-2-ylcarbazol-2-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23(28),24,26-tetradecaene;25-(9-phenylcarbazol-3-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23(28),24,26-tetradecaene
CID 159144068
2-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylquinoxalin-2-yl)carbazole;3-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylquinoxalin-2-yl)carbazole
CID 157299308
10-carbazol-9-yl-7-[3-(3-naphthalen-1-ylphenyl)quinoxalin-2-yl]benzo[c]carbazole;10-carbazol-9-yl-7-[3-(3-naphthalen-2-ylphenyl)quinoxalin-2-yl]benzo[c]carbazole
CID 163468032
9-benzo[b]carbazol-5-yl-5-[3-(3-phenanthren-2-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 146375040
2-benzo[c]carbazol-7-yl-5-[3-(4-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole
CID 146375178
5-[6,7-diphenyl-3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]benzo[b]carbazole
CID 139361945
5-[2-(9-naphthalen-2-ylcarbazol-3-yl)-7-phenylquinazolin-4-yl]-3-phenyl-9-[4-[3-[7-phenyl-4-(3-phenylbenzo[b]carbazol-5-yl)quinazolin-2-yl]carbazol-9-yl]phenyl]benzo[b]carbazole
CID 146539883
9-benzo[a]carbazol-11-yl-5-(3-dibenzofuran-3-ylquinoxalin-2-yl)benzo[b]carbazole
CID 146375308
8-benzo[b]carbazol-5-yl-5-[6-(3-fluoranthen-3-ylquinoxalin-2-yl)naphthalen-2-yl]benzo[b]carbazole
CID 146375358

Frequently Asked Questions

What is the IUPAC name of 2-(9-naphthalen-2-ylcarbazol-2-yl)-5-(3-naphthalen-2-ylquinoxalin-2-yl)benzo[b]carbazole?
The IUPAC name of 2-(9-naphthalen-2-ylcarbazol-2-yl)-5-(3-naphthalen-2-ylquinoxalin-2-yl)benzo[b]carbazole (CID 155114289) is 2-(9-naphthalen-2-ylcarbazol-2-yl)-5-(3-naphthalen-2-ylquinoxalin-2-yl)benzo[b]carbazole.
What is the SMILES notation for 2-(9-naphthalen-2-ylcarbazol-2-yl)-5-(3-naphthalen-2-ylquinoxalin-2-yl)benzo[b]carbazole?
The canonical SMILES for 2-(9-naphthalen-2-ylcarbazol-2-yl)-5-(3-naphthalen-2-ylquinoxalin-2-yl)benzo[b]carbazole is c1ccc2cc(-c3nc4ccccc4nc3-n3c4ccc(-c5ccc6c7ccccc7n(-c7ccc8ccccc8c7)c6c5)cc4c4cc5ccccc5cc43)ccc2c1.
What is the InChIKey of 2-(9-naphthalen-2-ylcarbazol-2-yl)-5-(3-naphthalen-2-ylquinoxalin-2-yl)benzo[b]carbazole?
The InChIKey is YHWSLDZQOZGVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N4/c1-3-13-37-29-43(22-21-35(37)11-1)55-56(58-50-19-9-8-18-49(50)57-55)60-52-28-25-41(32-47(52)48-31-39-15-5-6-16-40(39)33-54(48)60)42-24-27-46-45-17-7-10-20-51(45)59(53(46)34-42)44-26-23-36-12-2-4-14-38(36)30-44/h1-34H.
What are the key properties of 2-(9-naphthalen-2-ylcarbazol-2-yl)-5-(3-naphthalen-2-ylquinoxalin-2-yl)benzo[b]carbazole?
2-(9-naphthalen-2-ylcarbazol-2-yl)-5-(3-naphthalen-2-ylquinoxalin-2-yl)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-(9-naphthalen-2-ylcarbazol-2-yl)-5-(3-naphthalen-2-ylquinoxalin-2-yl)benzo[b]carbazole is sourced from PubChem (CID 155114289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).