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

C40H28N4 — CID 122224307

IUPAC3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl]-9-phenylcarbazole
SMILESCc1c(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C40H28N4/c1-27-32(30-24-25-37-35(26-30)34-20-11-12-23-36(34)44(37)31-18-9-4-10-19-31)21-13-22-33(27)40-42-38(28-14-5-2-6-15-28)41-39(43-40)29-16-7-3-8-17-29/h2-26H,1H3
InChIKeyFCFIUTXNSUNRFV-UHFFFAOYSA-N
MW564.69 g/mol
LogP9.95
Rot. Bonds5

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

3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl]-9-phenylcarbazole (PubChem CID 122224307) has the molecular formula C40H28N4 and a molecular weight of 564.69 g/mol. Its IUPAC name is 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl]-9-phenylcarbazole
PubChem CID122224307
Molecular FormulaC40H28N4
Molecular Weight564.69 g/mol
Exact Mass564.23
IUPAC Name3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl]-9-phenylcarbazole
SMILESCc1c(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C40H28N4/c1-27-32(30-24-25-37-35(26-30)34-20-11-12-23-36(34)44(37)31-18-9-4-10-19-31)21-13-22-33(27)40-42-38(28-14-5-2-6-15-28)41-39(43-40)29-16-7-3-8-17-29/h2-26H,1H3
InChIKeyFCFIUTXNSUNRFV-UHFFFAOYSA-N
XLogP9.95
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.69
LogP ≤ 59.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-methyl-3-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 89460166
3-[2-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 142577035
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-5-(9-phenylcarbazol-3-yl)carbazole
CID 134597683
9-[4-[2-methyl-3-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3-phenylcarbazole
CID 142551202
3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 122501655
3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 167378833
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6,9-triphenyl-8-(9-phenylcarbazol-3-yl)carbazole
CID 121422470
3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 146573165
3-[2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-9-phenylcarbazole
CID 154602092
3-[9-[4-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 155120354
3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 158317836
3-[9-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 58511500

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl]-9-phenylcarbazole?
The IUPAC name of 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl]-9-phenylcarbazole (CID 122224307) is 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl]-9-phenylcarbazole.
What is the SMILES notation for 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl]-9-phenylcarbazole?
The canonical SMILES for 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl]-9-phenylcarbazole is Cc1c(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl]-9-phenylcarbazole?
The InChIKey is FCFIUTXNSUNRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28N4/c1-27-32(30-24-25-37-35(26-30)34-20-11-12-23-36(34)44(37)31-18-9-4-10-19-31)21-13-22-33(27)40-42-38(28-14-5-2-6-15-28)41-39(43-40)29-16-7-3-8-17-29/h2-26H,1H3.
What are the key properties of 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl]-9-phenylcarbazole?
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl]-9-phenylcarbazole has a molecular weight of 564.69 g/mol, XLogP of 9.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl]-9-phenylcarbazole is sourced from PubChem (CID 122224307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).