3-carbazol-9-yl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]carbazole;ethane

C52H38N6 — CID 142560210

IUPAC3-carbazol-9-yl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]carbazole;ethane
SMILESCC.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccnc4)c(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c3)n2)cc1
InChIInChI=1S/C50H32N6.C2H6/c1-3-14-33(15-4-1)48-52-49(34-16-5-2-6-17-34)54-50(53-48)35-25-27-38(36-18-13-29-51-32-36)47(30-35)56-45-24-12-9-21-41(45)42-31-37(26-28-46(42)56)55-43-22-10-7-19-39(43)40-20-8-11-23-44(40)55;1-2/h1-32H;1-2H3
InChIKeyKOXQKCGAYRRRDH-UHFFFAOYSA-N
MW746.92 g/mol
LogP13.15
Rot. Bonds6

About 3-carbazol-9-yl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]carbazole;ethane

3-carbazol-9-yl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]carbazole;ethane (PubChem CID 142560210) has the molecular formula C52H38N6 and a molecular weight of 746.92 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]carbazole;ethane.

Molecular Properties

Compound Name3-carbazol-9-yl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]carbazole;ethane
PubChem CID142560210
Molecular FormulaC52H38N6
Molecular Weight746.92 g/mol
Exact Mass746.32
IUPAC Name3-carbazol-9-yl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]carbazole;ethane
SMILESCC.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccnc4)c(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c3)n2)cc1
InChIInChI=1S/C50H32N6.C2H6/c1-3-14-33(15-4-1)48-52-49(34-16-5-2-6-17-34)54-50(53-48)35-25-27-38(36-18-13-29-51-32-36)47(30-35)56-45-24-12-9-21-41(45)42-31-37(26-28-46(42)56)55-43-22-10-7-19-39(43)40-20-8-11-23-44(40)55;1-2/h1-32H;1-2H3
InChIKeyKOXQKCGAYRRRDH-UHFFFAOYSA-N
XLogP13.15
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.92
LogP ≤ 513.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-carbazol-9-yl-9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 142597402
3,6-di(carbazol-9-yl)-9-[2-[5-[4-[3-[9-[9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-pyridin-3-ylphenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazol-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-3-pyridin-3-ylphenyl]carbazole
CID 138663312
9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]carbazole-3,6-dicarbonitrile
CID 138579059
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-carbazol-9-ylcarbazole
CID 137421301
2,7-di(carbazol-9-yl)-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-4-ylphenyl]carbazole
CID 167262180
3-carbazol-9-yl-9-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 148633406
3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 162055470
3-carbazol-9-yl-9-[4-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 130353815
3-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-3-ylphenyl]-6-[3-[9-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-3-ylphenyl]carbazol-2-yl]carbazol-4-yl]carbazol-9-yl]carbazole
CID 138578547
3-carbazol-9-yl-6-[4-(6-carbazol-9-yl-9-pyridin-4-ylcarbazol-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-pyridin-4-ylcarbazole
CID 139317575
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-3-ylphenyl]-2-(4-methylphenyl)carbazole
CID 138578907
9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;9-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 160869531

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]carbazole;ethane?
The IUPAC name of 3-carbazol-9-yl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]carbazole;ethane (CID 142560210) is 3-carbazol-9-yl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]carbazole;ethane.
What is the SMILES notation for 3-carbazol-9-yl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]carbazole;ethane?
The canonical SMILES for 3-carbazol-9-yl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]carbazole;ethane is CC.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccnc4)c(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c3)n2)cc1.
What is the InChIKey of 3-carbazol-9-yl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]carbazole;ethane?
The InChIKey is KOXQKCGAYRRRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N6.C2H6/c1-3-14-33(15-4-1)48-52-49(34-16-5-2-6-17-34)54-50(53-48)35-25-27-38(36-18-13-29-51-32-36)47(30-35)56-45-24-12-9-21-41(45)42-31-37(26-28-46(42)56)55-43-22-10-7-19-39(43)40-20-8-11-23-44(40)55;1-2/h1-32H;1-2H3.
What are the key properties of 3-carbazol-9-yl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]carbazole;ethane?
3-carbazol-9-yl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]carbazole;ethane has a molecular weight of 746.92 g/mol, XLogP of 13.15, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]carbazole;ethane is sourced from PubChem (CID 142560210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).