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

C43H28N4 — CID 166915555

IUPAC9-[3-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)nc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C43H28N4/c1-2-12-31(13-3-1)41-44-42(46-43(45-41)35-26-23-29-11-4-5-14-33(29)27-35)32-24-21-30(22-25-32)34-15-10-16-36(28-34)47-39-19-8-6-17-37(39)38-18-7-9-20-40(38)47/h1-28H
InChIKeyUBCQZNSKBDEXEY-UHFFFAOYSA-N
MW600.73 g/mol
LogP10.79
Rot. Bonds5

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

9-[3-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole (PubChem CID 166915555) has the molecular formula C43H28N4 and a molecular weight of 600.73 g/mol. Its IUPAC name is 9-[3-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
PubChem CID166915555
Molecular FormulaC43H28N4
Molecular Weight600.73 g/mol
Exact Mass600.23
IUPAC Name9-[3-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)nc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C43H28N4/c1-2-12-31(13-3-1)41-44-42(46-43(45-41)35-26-23-29-11-4-5-14-33(29)27-35)32-24-21-30(22-25-32)34-15-10-16-36(28-34)47-39-19-8-6-17-37(39)38-18-7-9-20-40(38)47/h1-28H
InChIKeyUBCQZNSKBDEXEY-UHFFFAOYSA-N
XLogP10.79
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.73
LogP ≤ 510.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-[4-[3-[7-[3-[3-[4-(3-carbazol-9-ylphenyl)-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]naphthalen-2-yl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 146650760
9-[4-[4-(4-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 146622020
9-[3-[4-[3-(3-carbazol-9-ylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 118901387
9-[3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 153208818
9-[3-[2-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 167032128
9-[4-[4-(3-carbazol-9-ylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 165051393
3-[9-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 130304706
9-[3-[3-[4-[4-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole
CID 177124510
9-[3-[4-[3-carbazol-9-yl-4-(6-phenylnaphthalen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 139303855
3-carbazol-9-yl-5-[3-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155477089
9-[3-(4-phenylphenyl)phenyl]-2-[4-(4-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 155087271
9-[3-[4-naphthalen-2-yl-6-[4-(8-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177283132

Frequently Asked Questions

What is the IUPAC name of 9-[3-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole?
The IUPAC name of 9-[3-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole (CID 166915555) is 9-[3-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole.
What is the SMILES notation for 9-[3-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole?
The canonical SMILES for 9-[3-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole is c1ccc(-c2nc(-c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)nc(-c3ccc4ccccc4c3)n2)cc1.
What is the InChIKey of 9-[3-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole?
The InChIKey is UBCQZNSKBDEXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N4/c1-2-12-31(13-3-1)41-44-42(46-43(45-41)35-26-23-29-11-4-5-14-33(29)27-35)32-24-21-30(22-25-32)34-15-10-16-36(28-34)47-39-19-8-6-17-37(39)38-18-7-9-20-40(38)47/h1-28H.
What are the key properties of 9-[3-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole?
9-[3-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole has a molecular weight of 600.73 g/mol, XLogP of 10.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole is sourced from PubChem (CID 166915555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).