9-(5,6-diphenyl-3-pyridin-4-ylpyrazin-2-yl)-2-phenyl-6-(9-phenylcarbazol-3-yl)carbazole

C57H37N5 — CID 135194990

IUPAC9-(5,6-diphenyl-3-pyridin-4-ylpyrazin-2-yl)-2-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
SMILESc1ccc(-c2ccc3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc4n(-c4nc(-c5ccccc5)c(-c5ccccc5)nc4-c4ccncc4)c3c2)cc1
InChIInChI=1S/C57H37N5/c1-5-15-38(16-6-1)44-25-28-47-49-36-43(42-26-29-51-48(35-42)46-23-13-14-24-50(46)61(51)45-21-11-4-12-22-45)27-30-52(49)62(53(47)37-44)57-56(41-31-33-58-34-32-41)59-54(39-17-7-2-8-18-39)55(60-57)40-19-9-3-10-20-40/h1-37H
InChIKeyGZMLJFXXARSUEH-UHFFFAOYSA-N
MW791.96 g/mol
LogP14.40
Rot. Bonds7

About 9-(5,6-diphenyl-3-pyridin-4-ylpyrazin-2-yl)-2-phenyl-6-(9-phenylcarbazol-3-yl)carbazole

9-(5,6-diphenyl-3-pyridin-4-ylpyrazin-2-yl)-2-phenyl-6-(9-phenylcarbazol-3-yl)carbazole (PubChem CID 135194990) has the molecular formula C57H37N5 and a molecular weight of 791.96 g/mol. Its IUPAC name is 9-(5,6-diphenyl-3-pyridin-4-ylpyrazin-2-yl)-2-phenyl-6-(9-phenylcarbazol-3-yl)carbazole.

Molecular Properties

Compound Name9-(5,6-diphenyl-3-pyridin-4-ylpyrazin-2-yl)-2-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
PubChem CID135194990
Molecular FormulaC57H37N5
Molecular Weight791.96 g/mol
Exact Mass791.30
IUPAC Name9-(5,6-diphenyl-3-pyridin-4-ylpyrazin-2-yl)-2-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
SMILESc1ccc(-c2ccc3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc4n(-c4nc(-c5ccccc5)c(-c5ccccc5)nc4-c4ccncc4)c3c2)cc1
InChIInChI=1S/C57H37N5/c1-5-15-38(16-6-1)44-25-28-47-49-36-43(42-26-29-51-48(35-42)46-23-13-14-24-50(46)61(51)45-21-11-4-12-22-45)27-30-52(49)62(53(47)37-44)57-56(41-31-33-58-34-32-41)59-54(39-17-7-2-8-18-39)55(60-57)40-19-9-3-10-20-40/h1-37H
InChIKeyGZMLJFXXARSUEH-UHFFFAOYSA-N
XLogP14.40
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.96
LogP ≤ 514.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[9-(4-phenylphenyl)carbazol-2-yl]-9-(4-pyridin-4-ylphenyl)carbazole
CID 164797248
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
19-(5,6-diphenyl-3-pyridin-4-ylpyrazin-2-yl)-15,22-diphenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20(25),21,23,26-dodecaene
CID 135195032
2-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)carbazole
CID 161163873
19-(5,6-diphenyl-3-pyridin-4-ylpyrazin-2-yl)-15-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene
CID 135194988
6-(9-phenylcarbazol-3-yl)-2,9-bis(4-phenylphenyl)carbazole
CID 137400811
3,6-diphenyl-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118084405
6-(4-carbazol-9-ylphenyl)-2,9-diphenylcarbazole
CID 126682018
2,7-diphenyl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 166037407
9-phenyl-2-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 129225606
9-(4-phenylphenyl)-2-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 121285556
2-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 170072600

Frequently Asked Questions

What is the IUPAC name of 9-(5,6-diphenyl-3-pyridin-4-ylpyrazin-2-yl)-2-phenyl-6-(9-phenylcarbazol-3-yl)carbazole?
The IUPAC name of 9-(5,6-diphenyl-3-pyridin-4-ylpyrazin-2-yl)-2-phenyl-6-(9-phenylcarbazol-3-yl)carbazole (CID 135194990) is 9-(5,6-diphenyl-3-pyridin-4-ylpyrazin-2-yl)-2-phenyl-6-(9-phenylcarbazol-3-yl)carbazole.
What is the SMILES notation for 9-(5,6-diphenyl-3-pyridin-4-ylpyrazin-2-yl)-2-phenyl-6-(9-phenylcarbazol-3-yl)carbazole?
The canonical SMILES for 9-(5,6-diphenyl-3-pyridin-4-ylpyrazin-2-yl)-2-phenyl-6-(9-phenylcarbazol-3-yl)carbazole is c1ccc(-c2ccc3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc4n(-c4nc(-c5ccccc5)c(-c5ccccc5)nc4-c4ccncc4)c3c2)cc1.
What is the InChIKey of 9-(5,6-diphenyl-3-pyridin-4-ylpyrazin-2-yl)-2-phenyl-6-(9-phenylcarbazol-3-yl)carbazole?
The InChIKey is GZMLJFXXARSUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N5/c1-5-15-38(16-6-1)44-25-28-47-49-36-43(42-26-29-51-48(35-42)46-23-13-14-24-50(46)61(51)45-21-11-4-12-22-45)27-30-52(49)62(53(47)37-44)57-56(41-31-33-58-34-32-41)59-54(39-17-7-2-8-18-39)55(60-57)40-19-9-3-10-20-40/h1-37H.
What are the key properties of 9-(5,6-diphenyl-3-pyridin-4-ylpyrazin-2-yl)-2-phenyl-6-(9-phenylcarbazol-3-yl)carbazole?
9-(5,6-diphenyl-3-pyridin-4-ylpyrazin-2-yl)-2-phenyl-6-(9-phenylcarbazol-3-yl)carbazole has a molecular weight of 791.96 g/mol, XLogP of 14.40, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5,6-diphenyl-3-pyridin-4-ylpyrazin-2-yl)-2-phenyl-6-(9-phenylcarbazol-3-yl)carbazole is sourced from PubChem (CID 135194990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).