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

C49H32N4 — CID 170659085

IUPAC9-[5-naphthalen-1-yl-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccc6ccccc56)cc4-n4c5ccccc5c5ccccc54)n3)c2)cc1
InChIInChI=1S/C49H32N4/c1-3-15-33(16-4-1)36-21-13-22-38(31-36)48-50-47(35-18-5-2-6-19-35)51-49(52-48)43-30-29-37(40-26-14-20-34-17-7-8-23-39(34)40)32-46(43)53-44-27-11-9-24-41(44)42-25-10-12-28-45(42)53/h1-32H
InChIKeyLAESQEBKAQTXJV-UHFFFAOYSA-N
MW676.82 g/mol
LogP12.46
Rot. Bonds6

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

9-[5-naphthalen-1-yl-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 170659085) has the molecular formula C49H32N4 and a molecular weight of 676.82 g/mol. Its IUPAC name is 9-[5-naphthalen-1-yl-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[5-naphthalen-1-yl-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
PubChem CID170659085
Molecular FormulaC49H32N4
Molecular Weight676.82 g/mol
Exact Mass676.26
IUPAC Name9-[5-naphthalen-1-yl-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccc6ccccc56)cc4-n4c5ccccc5c5ccccc54)n3)c2)cc1
InChIInChI=1S/C49H32N4/c1-3-15-33(16-4-1)36-21-13-22-38(31-36)48-50-47(35-18-5-2-6-19-35)51-49(52-48)43-30-29-37(40-26-14-20-34-17-7-8-23-39(34)40)32-46(43)53-44-27-11-9-24-41(44)42-25-10-12-28-45(42)53/h1-32H
InChIKeyLAESQEBKAQTXJV-UHFFFAOYSA-N
XLogP12.46
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.82
LogP ≤ 512.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[5-naphthalen-1-yl-2-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170659152
9-[2-[4-[3-carbazol-9-yl-4-[3-(3-phenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 139303113
9-[5-phenyl-2-[4-(5-phenylnaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170658746
9-[2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazole
CID 170658886
9-[5-phenyl-2-[4-(3-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170658891
9-[2-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)phenyl]carbazole
CID 170658935
9-[2-[3-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]phenyl]carbazole
CID 168801567
9-[2-(3-phenylphenyl)-5-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170659178
9-[2-naphthalen-1-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170658673
9-[5-[4-[3-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
CID 139303416
9-[2-phenyl-5-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170658510
9-[2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 170244460

Frequently Asked Questions

What is the IUPAC name of 9-[5-naphthalen-1-yl-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?
The IUPAC name of 9-[5-naphthalen-1-yl-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole (CID 170659085) is 9-[5-naphthalen-1-yl-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole.
What is the SMILES notation for 9-[5-naphthalen-1-yl-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?
The canonical SMILES for 9-[5-naphthalen-1-yl-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccc6ccccc56)cc4-n4c5ccccc5c5ccccc54)n3)c2)cc1.
What is the InChIKey of 9-[5-naphthalen-1-yl-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?
The InChIKey is LAESQEBKAQTXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N4/c1-3-15-33(16-4-1)36-21-13-22-38(31-36)48-50-47(35-18-5-2-6-19-35)51-49(52-48)43-30-29-37(40-26-14-20-34-17-7-8-23-39(34)40)32-46(43)53-44-27-11-9-24-41(44)42-25-10-12-28-45(42)53/h1-32H.
What are the key properties of 9-[5-naphthalen-1-yl-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?
9-[5-naphthalen-1-yl-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole has a molecular weight of 676.82 g/mol, XLogP of 12.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-naphthalen-1-yl-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 170659085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).