3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-methylcarbazol-9-yl)phenyl]-9-phenylcarbazole

C52H35N5 — CID 148758940

IUPAC3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-methylcarbazol-9-yl)phenyl]-9-phenylcarbazole
SMILESCc1ccc2c3ccccc3n(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1
InChIInChI=1S/C52H35N5/c1-34-25-28-42-40-21-11-14-24-46(40)57(49(42)31-34)48-30-27-38(37-26-29-47-43(32-37)41-22-12-13-23-45(41)56(47)39-19-9-4-10-20-39)33-44(48)52-54-50(35-15-5-2-6-16-35)53-51(55-52)36-17-7-3-8-18-36/h2-33H,1H3
InChIKeyOGECLEPNVWMWDN-UHFFFAOYSA-N
MW729.89 g/mol
LogP13.04
Rot. Bonds6

About 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-methylcarbazol-9-yl)phenyl]-9-phenylcarbazole

3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-methylcarbazol-9-yl)phenyl]-9-phenylcarbazole (PubChem CID 148758940) has the molecular formula C52H35N5 and a molecular weight of 729.89 g/mol. Its IUPAC name is 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-methylcarbazol-9-yl)phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-methylcarbazol-9-yl)phenyl]-9-phenylcarbazole
PubChem CID148758940
Molecular FormulaC52H35N5
Molecular Weight729.89 g/mol
Exact Mass729.29
IUPAC Name3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-methylcarbazol-9-yl)phenyl]-9-phenylcarbazole
SMILESCc1ccc2c3ccccc3n(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1
InChIInChI=1S/C52H35N5/c1-34-25-28-42-40-21-11-14-24-46(40)57(49(42)31-34)48-30-27-38(37-26-29-47-43(32-37)41-22-12-13-23-45(41)56(47)39-19-9-4-10-20-39)33-44(48)52-54-50(35-15-5-2-6-16-35)53-51(55-52)36-17-7-3-8-18-36/h2-33H,1H3
InChIKeyOGECLEPNVWMWDN-UHFFFAOYSA-N
XLogP13.04
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.89
LogP ≤ 513.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-phenylcarbazol-9-yl)phenyl]-9-phenylcarbazole
CID 155232535
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylcarbazol-9-yl)phenyl]-9-phenylcarbazole
CID 155232537
3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 155232297
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyl-7-(9-phenylcarbazol-3-yl)carbazole
CID 118083985
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-methyl-2-(9-phenylcarbazol-3-yl)carbazole
CID 118345196
9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-dimethylcarbazole;9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylcarbazole;9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylcarbazole
CID 159575146
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]-3,6-bis(3-methylphenyl)carbazole
CID 155628027
3-(3,5-dimethylphenyl)-9-[4-[4-[3-(3,5-dimethylphenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 139504246
3-[9-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 144597211
3-[9-[2-carbazol-9-yl-4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[2-carbazol-9-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;6-[2-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-2-(9-phenylcarbazol-3-yl)carbazole
CID 158333834
5-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-3-yl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 155232984
9-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-methylphenyl)carbazole
CID 137421193

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-methylcarbazol-9-yl)phenyl]-9-phenylcarbazole?
The IUPAC name of 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-methylcarbazol-9-yl)phenyl]-9-phenylcarbazole (CID 148758940) is 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-methylcarbazol-9-yl)phenyl]-9-phenylcarbazole.
What is the SMILES notation for 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-methylcarbazol-9-yl)phenyl]-9-phenylcarbazole?
The canonical SMILES for 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-methylcarbazol-9-yl)phenyl]-9-phenylcarbazole is Cc1ccc2c3ccccc3n(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1.
What is the InChIKey of 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-methylcarbazol-9-yl)phenyl]-9-phenylcarbazole?
The InChIKey is OGECLEPNVWMWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N5/c1-34-25-28-42-40-21-11-14-24-46(40)57(49(42)31-34)48-30-27-38(37-26-29-47-43(32-37)41-22-12-13-23-45(41)56(47)39-19-9-4-10-20-39)33-44(48)52-54-50(35-15-5-2-6-16-35)53-51(55-52)36-17-7-3-8-18-36/h2-33H,1H3.
What are the key properties of 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-methylcarbazol-9-yl)phenyl]-9-phenylcarbazole?
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-methylcarbazol-9-yl)phenyl]-9-phenylcarbazole has a molecular weight of 729.89 g/mol, XLogP of 13.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-methylcarbazol-9-yl)phenyl]-9-phenylcarbazole is sourced from PubChem (CID 148758940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).