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

C55H36N4 — CID 170659128

IUPAC9-[4-phenyl-1-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4c(-n5c6ccccc6c6ccccc65)cc(-c5ccccc5)c5ccccc45)n3)cc2)cc1
InChIInChI=1S/C55H36N4/c1-4-17-37(18-5-1)39-31-33-41(34-32-39)53-56-54(43-24-16-23-42(35-43)38-19-6-2-7-20-38)58-55(57-53)52-47-28-11-10-25-44(47)48(40-21-8-3-9-22-40)36-51(52)59-49-29-14-12-26-45(49)46-27-13-15-30-50(46)59/h1-36H
InChIKeyIIBGKCCBKHUMDG-UHFFFAOYSA-N
MW752.92 g/mol
LogP14.12
Rot. Bonds7

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

9-[4-phenyl-1-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazole (PubChem CID 170659128) has the molecular formula C55H36N4 and a molecular weight of 752.92 g/mol. Its IUPAC name is 9-[4-phenyl-1-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazole.

Molecular Properties

Compound Name9-[4-phenyl-1-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazole
PubChem CID170659128
Molecular FormulaC55H36N4
Molecular Weight752.92 g/mol
Exact Mass752.29
IUPAC Name9-[4-phenyl-1-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4c(-n5c6ccccc6c6ccccc65)cc(-c5ccccc5)c5ccccc45)n3)cc2)cc1
InChIInChI=1S/C55H36N4/c1-4-17-37(18-5-1)39-31-33-41(34-32-39)53-56-54(43-24-16-23-42(35-43)38-19-6-2-7-20-38)58-55(57-53)52-47-28-11-10-25-44(47)48(40-21-8-3-9-22-40)36-51(52)59-49-29-14-12-26-45(49)46-27-13-15-30-50(46)59/h1-36H
InChIKeyIIBGKCCBKHUMDG-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-[1-phenyl-4-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazole
CID 170659042
9-[2-phenyl-5-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170658510
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-[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-[4-[4-carbazol-9-yl-6-[4-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-4-phenylphenyl]carbazole
CID 139303352
9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-[3-(4-phenylphenyl)phenyl]carbazole
CID 170539148
9-[2-[4-[4-carbazol-9-yl-6-[3-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-4-phenylphenyl]carbazole
CID 139303815
2-phenyl-9-[2-phenyl-4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170539049
9-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 146491413
9-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1-phenylnaphthalen-2-yl]carbazole
CID 170658621
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

Frequently Asked Questions

What is the IUPAC name of 9-[4-phenyl-1-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazole?
The IUPAC name of 9-[4-phenyl-1-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazole (CID 170659128) is 9-[4-phenyl-1-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazole.
What is the SMILES notation for 9-[4-phenyl-1-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazole?
The canonical SMILES for 9-[4-phenyl-1-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazole is c1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4c(-n5c6ccccc6c6ccccc65)cc(-c5ccccc5)c5ccccc45)n3)cc2)cc1.
What is the InChIKey of 9-[4-phenyl-1-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazole?
The InChIKey is IIBGKCCBKHUMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N4/c1-4-17-37(18-5-1)39-31-33-41(34-32-39)53-56-54(43-24-16-23-42(35-43)38-19-6-2-7-20-38)58-55(57-53)52-47-28-11-10-25-44(47)48(40-21-8-3-9-22-40)36-51(52)59-49-29-14-12-26-45(49)46-27-13-15-30-50(46)59/h1-36H.
What are the key properties of 9-[4-phenyl-1-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazole?
9-[4-phenyl-1-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-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-[4-phenyl-1-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazole is sourced from PubChem (CID 170659128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).