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

C55H36N4 — CID 170659042

IUPAC9-[1-phenyl-4-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazole
SMILESc1ccc(-c2cccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5cc(-n6c7ccccc7c7ccccc76)c(-c6ccccc6)c6ccccc56)n4)c3)c2)cc1
InChIInChI=1S/C55H36N4/c1-4-18-37(19-5-1)40-24-16-25-41(34-40)42-26-17-27-43(35-42)54-56-53(39-22-8-3-9-23-39)57-55(58-54)48-36-51(52(38-20-6-2-7-21-38)47-31-11-10-28-44(47)48)59-49-32-14-12-29-45(49)46-30-13-15-33-50(46)59/h1-36H
InChIKeyRRLYLAAYHWEGKN-UHFFFAOYSA-N
MW752.92 g/mol
LogP14.12
Rot. Bonds7

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

9-[1-phenyl-4-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazole (PubChem CID 170659042) has the molecular formula C55H36N4 and a molecular weight of 752.92 g/mol. Its IUPAC name is 9-[1-phenyl-4-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazole.

Molecular Properties

Compound Name9-[1-phenyl-4-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazole
PubChem CID170659042
Molecular FormulaC55H36N4
Molecular Weight752.92 g/mol
Exact Mass752.29
IUPAC Name9-[1-phenyl-4-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazole
SMILESc1ccc(-c2cccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5cc(-n6c7ccccc7c7ccccc76)c(-c6ccccc6)c6ccccc56)n4)c3)c2)cc1
InChIInChI=1S/C55H36N4/c1-4-18-37(19-5-1)40-24-16-25-41(34-40)42-26-17-27-43(35-42)54-56-53(39-22-8-3-9-23-39)57-55(58-54)48-36-51(52(38-20-6-2-7-21-38)47-31-11-10-28-44(47)48)59-49-32-14-12-29-45(49)46-30-13-15-33-50(46)59/h1-36H
InChIKeyRRLYLAAYHWEGKN-UHFFFAOYSA-N
XLogP14.12
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.92
LogP ≤ 514.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1-phenylnaphthalen-2-yl]carbazole
CID 170658621
9-[4-phenyl-1-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazole
CID 170659128
9-[1-naphthalen-1-yl-4-[4-(4-naphthalen-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazole
CID 170658536
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-naphthalen-2-ylnaphthalen-2-yl]carbazole
CID 170658432
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-(3-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170658891
9-[2-phenyl-5-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170658510
9-[2-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]carbazole
CID 168801597
9-[4-carbazol-9-yl-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 146472254
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-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 146491413
9-[2-[3-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]phenyl]carbazole
CID 168801567

Frequently Asked Questions

What is the IUPAC name of 9-[1-phenyl-4-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazole?
The IUPAC name of 9-[1-phenyl-4-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazole (CID 170659042) is 9-[1-phenyl-4-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazole.
What is the SMILES notation for 9-[1-phenyl-4-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazole?
The canonical SMILES for 9-[1-phenyl-4-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazole is c1ccc(-c2cccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5cc(-n6c7ccccc7c7ccccc76)c(-c6ccccc6)c6ccccc56)n4)c3)c2)cc1.
What is the InChIKey of 9-[1-phenyl-4-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazole?
The InChIKey is RRLYLAAYHWEGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N4/c1-4-18-37(19-5-1)40-24-16-25-41(34-40)42-26-17-27-43(35-42)54-56-53(39-22-8-3-9-23-39)57-55(58-54)48-36-51(52(38-20-6-2-7-21-38)47-31-11-10-28-44(47)48)59-49-32-14-12-29-45(49)46-30-13-15-33-50(46)59/h1-36H.
What are the key properties of 9-[1-phenyl-4-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazole?
9-[1-phenyl-4-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazole has a molecular weight of 752.92 g/mol, XLogP of 14.12, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-phenyl-4-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazole is sourced from PubChem (CID 170659042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).