9-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]-3,6-dimethylcarbazole

C30H24N4 — CID 23527812

IUPAC9-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2Cc1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C30H24N4/c1-20-13-15-26-24(17-20)25-18-21(2)14-16-27(25)34(26)19-28-31-29(22-9-5-3-6-10-22)33-30(32-28)23-11-7-4-8-12-23/h3-18H,19H2,1-2H3
InChIKeyUVACKEYYTXKSCP-UHFFFAOYSA-N
MW440.55 g/mol
LogP6.98
Rot. Bonds4

About 9-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]-3,6-dimethylcarbazole

9-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]-3,6-dimethylcarbazole (PubChem CID 23527812) has the molecular formula C30H24N4 and a molecular weight of 440.55 g/mol. Its IUPAC name is 9-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]-3,6-dimethylcarbazole.

Molecular Properties

Compound Name9-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]-3,6-dimethylcarbazole
PubChem CID23527812
Molecular FormulaC30H24N4
Molecular Weight440.55 g/mol
Exact Mass440.20
IUPAC Name9-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2Cc1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C30H24N4/c1-20-13-15-26-24(17-20)25-18-21(2)14-16-27(25)34(26)19-28-31-29(22-9-5-3-6-10-22)33-30(32-28)23-11-7-4-8-12-23/h3-18H,19H2,1-2H3
InChIKeyUVACKEYYTXKSCP-UHFFFAOYSA-N
XLogP6.98
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.55
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-(3,6-dimethylcarbazol-9-yl)-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole
CID 146512114
9-[4-(3,6-dimethylcarbazol-9-yl)-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole
CID 142508189
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-methylcarbazol-9-yl)phenyl]phenyl]phenyl]-3-methylcarbazole
CID 162500647
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-methylcarbazol-4-yl]-3-methylcarbazole
CID 170367088
9-[[4-[(3,6-dimethylcarbazol-9-yl)methyl]phenyl]methyl]-3,6-dimethylcarbazole
CID 58883537
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-3-methylcarbazole
CID 158199307
9-[4-[3,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3,6-dimethylcarbazol-9-yl)-2-pyridinyl]-3,6-dimethylcarbazole
CID 166759147
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-methyl-2-(9-phenylcarbazol-3-yl)carbazole
CID 118345196
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,9-dimethyl-5-phenylindolo[3,2-c]carbazole
CID 142315008
1-benzyl-3-(2,2-dimethylpropyl)-5-methyl-2-phenylindole
CID 11187749
2,3,4,6-tetrakis(3,6-dimethylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 152950452
2-[4-[4-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 20652059

Frequently Asked Questions

What is the IUPAC name of 9-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]-3,6-dimethylcarbazole?
The IUPAC name of 9-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]-3,6-dimethylcarbazole (CID 23527812) is 9-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]-3,6-dimethylcarbazole.
What is the SMILES notation for 9-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]-3,6-dimethylcarbazole?
The canonical SMILES for 9-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]-3,6-dimethylcarbazole is Cc1ccc2c(c1)c1cc(C)ccc1n2Cc1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 9-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]-3,6-dimethylcarbazole?
The InChIKey is UVACKEYYTXKSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N4/c1-20-13-15-26-24(17-20)25-18-21(2)14-16-27(25)34(26)19-28-31-29(22-9-5-3-6-10-22)33-30(32-28)23-11-7-4-8-12-23/h3-18H,19H2,1-2H3.
What are the key properties of 9-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]-3,6-dimethylcarbazole?
9-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]-3,6-dimethylcarbazole has a molecular weight of 440.55 g/mol, XLogP of 6.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]-3,6-dimethylcarbazole is sourced from PubChem (CID 23527812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).