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

C37H23ClN4 — CID 166916166

IUPAC2-[4-(4-chloronaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
SMILESClc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)n2)c2ccccc12
InChIInChI=1S/C37H23ClN4/c38-32-22-21-31(27-15-7-8-16-28(27)32)37-40-35(24-11-3-1-4-12-24)39-36(41-37)25-19-20-30-29-17-9-10-18-33(29)42(34(30)23-25)26-13-5-2-6-14-26/h1-23H
InChIKeyGQAWNIKWLBFQNM-UHFFFAOYSA-N
MW559.07 g/mol
LogP9.78
Rot. Bonds4

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

2-[4-(4-chloronaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole (PubChem CID 166916166) has the molecular formula C37H23ClN4 and a molecular weight of 559.07 g/mol. Its IUPAC name is 2-[4-(4-chloronaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-[4-(4-chloronaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
PubChem CID166916166
Molecular FormulaC37H23ClN4
Molecular Weight559.07 g/mol
Exact Mass558.16
IUPAC Name2-[4-(4-chloronaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
SMILESClc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)n2)c2ccccc12
InChIInChI=1S/C37H23ClN4/c38-32-22-21-31(27-15-7-8-16-28(27)32)37-40-35(24-11-3-1-4-12-24)39-36(41-37)25-19-20-30-29-17-9-10-18-33(29)42(34(30)23-25)26-13-5-2-6-14-26/h1-23H
InChIKeyGQAWNIKWLBFQNM-UHFFFAOYSA-N
XLogP9.78
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.07
LogP ≤ 59.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 146648358
9-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 171438085
5-[4-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 146621268
2-[4-(2,6-diphenyl-4-pyridinyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 146648371
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 171402410
9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)carbazole
CID 142377805
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-(2-phenylphenyl)phenyl]carbazole
CID 170539058
3,9-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(9-phenylcarbazol-2-yl)carbazole
CID 122431757
9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)carbazole
CID 135144167
9-[3-(4-phenylphenyl)phenyl]-2-[4-(4-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 155087271
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylcarbazol-9-yl)phenyl]-9-phenylcarbazole
CID 155232537
2-[4-(4-chloro-3-dibenzothiophen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 155474760

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chloronaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole?
The IUPAC name of 2-[4-(4-chloronaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole (CID 166916166) is 2-[4-(4-chloronaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 2-[4-(4-chloronaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole?
The canonical SMILES for 2-[4-(4-chloronaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole is Clc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)n2)c2ccccc12.
What is the InChIKey of 2-[4-(4-chloronaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole?
The InChIKey is GQAWNIKWLBFQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23ClN4/c38-32-22-21-31(27-15-7-8-16-28(27)32)37-40-35(24-11-3-1-4-12-24)39-36(41-37)25-19-20-30-29-17-9-10-18-33(29)42(34(30)23-25)26-13-5-2-6-14-26/h1-23H.
What are the key properties of 2-[4-(4-chloronaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole?
2-[4-(4-chloronaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole has a molecular weight of 559.07 g/mol, XLogP of 9.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chloronaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 166916166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).