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

C37H30N4 — CID 118670813

IUPAC9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1c(C)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1C
InChIInChI=1S/C37H30N4/c1-23-15-17-32-30(19-23)31-20-24(2)16-18-33(31)41(32)34-25(3)21-29(22-26(34)4)37-39-35(27-11-7-5-8-12-27)38-36(40-37)28-13-9-6-10-14-28/h5-22H,1-4H3
InChIKeySYPWESKSIXWIIR-UHFFFAOYSA-N
MW530.68 g/mol
LogP9.20
Rot. Bonds4

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

9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]-3,6-dimethylcarbazole (PubChem CID 118670813) has the molecular formula C37H30N4 and a molecular weight of 530.68 g/mol. Its IUPAC name is 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]-3,6-dimethylcarbazole.

Molecular Properties

Compound Name9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]-3,6-dimethylcarbazole
PubChem CID118670813
Molecular FormulaC37H30N4
Molecular Weight530.68 g/mol
Exact Mass530.25
IUPAC Name9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1c(C)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1C
InChIInChI=1S/C37H30N4/c1-23-15-17-32-30(19-23)31-20-24(2)16-18-33(31)41(32)34-25(3)21-29(22-26(34)4)37-39-35(27-11-7-5-8-12-27)38-36(40-37)28-13-9-6-10-14-28/h5-22H,1-4H3
InChIKeySYPWESKSIXWIIR-UHFFFAOYSA-N
XLogP9.20
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.68
LogP ≤ 59.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]-3,6-dimethylcarbazole?
The IUPAC name of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]-3,6-dimethylcarbazole (CID 118670813) is 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]-3,6-dimethylcarbazole.
What is the SMILES notation for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]-3,6-dimethylcarbazole?
The canonical SMILES for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]-3,6-dimethylcarbazole is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1c(C)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1C.
What is the InChIKey of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]-3,6-dimethylcarbazole?
The InChIKey is SYPWESKSIXWIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H30N4/c1-23-15-17-32-30(19-23)31-20-24(2)16-18-33(31)41(32)34-25(3)21-29(22-26(34)4)37-39-35(27-11-7-5-8-12-27)38-36(40-37)28-13-9-6-10-14-28/h5-22H,1-4H3.
What are the key properties of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]-3,6-dimethylcarbazole?
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]-3,6-dimethylcarbazole has a molecular weight of 530.68 g/mol, XLogP of 9.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]-3,6-dimethylcarbazole is sourced from PubChem (CID 118670813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).