2-[9-(2,3-diphenylquinoxalin-6-yl)carbazol-2-yl]-9-(4-phenylquinazolin-2-yl)carbazole

C58H36N6 — CID 163545205

IUPAC2-[9-(2,3-diphenylquinoxalin-6-yl)carbazol-2-yl]-9-(4-phenylquinazolin-2-yl)carbazole
SMILESc1ccc(-c2nc3ccc(-n4c5ccccc5c5ccc(-c6ccc7c8ccccc8n(-c8nc(-c9ccccc9)c9ccccc9n8)c7c6)cc54)cc3nc2-c2ccccc2)cc1
InChIInChI=1S/C58H36N6/c1-4-16-37(17-5-1)55-47-24-10-13-25-48(47)61-58(62-55)64-52-27-15-12-23-44(52)46-32-29-41(35-54(46)64)40-28-31-45-43-22-11-14-26-51(43)63(53(45)34-40)42-30-33-49-50(36-42)60-57(39-20-8-3-9-21-39)56(59-49)38-18-6-2-7-19-38/h1-36H
InChIKeyFELQLENYLOHQTF-UHFFFAOYSA-N
MW816.97 g/mol
LogP14.44
Rot. Bonds6

About 2-[9-(2,3-diphenylquinoxalin-6-yl)carbazol-2-yl]-9-(4-phenylquinazolin-2-yl)carbazole

2-[9-(2,3-diphenylquinoxalin-6-yl)carbazol-2-yl]-9-(4-phenylquinazolin-2-yl)carbazole (PubChem CID 163545205) has the molecular formula C58H36N6 and a molecular weight of 816.97 g/mol. Its IUPAC name is 2-[9-(2,3-diphenylquinoxalin-6-yl)carbazol-2-yl]-9-(4-phenylquinazolin-2-yl)carbazole.

Molecular Properties

Compound Name2-[9-(2,3-diphenylquinoxalin-6-yl)carbazol-2-yl]-9-(4-phenylquinazolin-2-yl)carbazole
PubChem CID163545205
Molecular FormulaC58H36N6
Molecular Weight816.97 g/mol
Exact Mass816.30
IUPAC Name2-[9-(2,3-diphenylquinoxalin-6-yl)carbazol-2-yl]-9-(4-phenylquinazolin-2-yl)carbazole
SMILESc1ccc(-c2nc3ccc(-n4c5ccccc5c5ccc(-c6ccc7c8ccccc8n(-c8nc(-c9ccccc9)c9ccccc9n8)c7c6)cc54)cc3nc2-c2ccccc2)cc1
InChIInChI=1S/C58H36N6/c1-4-16-37(17-5-1)55-47-24-10-13-25-48(47)61-58(62-55)64-52-27-15-12-23-44(52)46-32-29-41(35-54(46)64)40-28-31-45-43-22-11-14-26-51(43)63(53(45)34-40)42-30-33-49-50(36-42)60-57(39-20-8-3-9-21-39)56(59-49)38-18-6-2-7-19-38/h1-36H
InChIKeyFELQLENYLOHQTF-UHFFFAOYSA-N
XLogP14.44
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.97
LogP ≤ 514.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[9-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 162263267
2-carbazol-9-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 146374838
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[4-[4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 146176762
3-(9-phenylcarbazol-3-yl)-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 90050965
3-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole
CID 90129291
7-phenyl-5-[4-(4-phenylphenyl)quinazolin-2-yl]indolo[2,3-b]carbazole
CID 126580211
3-(9-phenylcarbazol-3-yl)-9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]carbazole
CID 118133212
10-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 118517569
9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2-(2,3-diphenylquinoxalin-6-yl)carbazole
CID 145361898
5-[7-[2-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]-4-(4-phenylphenyl)quinazolin-7-yl]-9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole
CID 139315832
2-(9-phenylcarbazol-3-yl)-9-[4-[4-(5-phenyl-2-pyridinyl)phenyl]quinazolin-2-yl]carbazole
CID 90129224
3-benzo[c]carbazol-7-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole
CID 146375569

Frequently Asked Questions

What is the IUPAC name of 2-[9-(2,3-diphenylquinoxalin-6-yl)carbazol-2-yl]-9-(4-phenylquinazolin-2-yl)carbazole?
The IUPAC name of 2-[9-(2,3-diphenylquinoxalin-6-yl)carbazol-2-yl]-9-(4-phenylquinazolin-2-yl)carbazole (CID 163545205) is 2-[9-(2,3-diphenylquinoxalin-6-yl)carbazol-2-yl]-9-(4-phenylquinazolin-2-yl)carbazole.
What is the SMILES notation for 2-[9-(2,3-diphenylquinoxalin-6-yl)carbazol-2-yl]-9-(4-phenylquinazolin-2-yl)carbazole?
The canonical SMILES for 2-[9-(2,3-diphenylquinoxalin-6-yl)carbazol-2-yl]-9-(4-phenylquinazolin-2-yl)carbazole is c1ccc(-c2nc3ccc(-n4c5ccccc5c5ccc(-c6ccc7c8ccccc8n(-c8nc(-c9ccccc9)c9ccccc9n8)c7c6)cc54)cc3nc2-c2ccccc2)cc1.
What is the InChIKey of 2-[9-(2,3-diphenylquinoxalin-6-yl)carbazol-2-yl]-9-(4-phenylquinazolin-2-yl)carbazole?
The InChIKey is FELQLENYLOHQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N6/c1-4-16-37(17-5-1)55-47-24-10-13-25-48(47)61-58(62-55)64-52-27-15-12-23-44(52)46-32-29-41(35-54(46)64)40-28-31-45-43-22-11-14-26-51(43)63(53(45)34-40)42-30-33-49-50(36-42)60-57(39-20-8-3-9-21-39)56(59-49)38-18-6-2-7-19-38/h1-36H.
What are the key properties of 2-[9-(2,3-diphenylquinoxalin-6-yl)carbazol-2-yl]-9-(4-phenylquinazolin-2-yl)carbazole?
2-[9-(2,3-diphenylquinoxalin-6-yl)carbazol-2-yl]-9-(4-phenylquinazolin-2-yl)carbazole has a molecular weight of 816.97 g/mol, XLogP of 14.44, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(2,3-diphenylquinoxalin-6-yl)carbazol-2-yl]-9-(4-phenylquinazolin-2-yl)carbazole is sourced from PubChem (CID 163545205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).