3,4-dinaphthalen-1-yl-2-phenyl-1-[6-phenyl-5-(2-phenylphenyl)triazin-4-yl]indeno[2,1-a]carbazole

C66H40N4 — CID 166134118

IUPAC3,4-dinaphthalen-1-yl-2-phenyl-1-[6-phenyl-5-(2-phenylphenyl)triazin-4-yl]indeno[2,1-a]carbazole
SMILESC1=c2c(ccc3c2=Nc2ccccc2-3)-c2c1c(-c1nnnc(-c3ccccc3)c1-c1ccccc1-c1ccccc1)c(-c1ccccc1)c(-c1cccc3ccccc13)c2-c1cccc2ccccc12
InChIInChI=1S/C66H40N4/c1-4-20-41(21-5-1)48-32-14-15-34-52(48)63-64(45-26-8-3-9-27-45)68-70-69-66(63)62-56-40-55-53(38-39-54-49-33-16-17-37-57(49)67-65(54)55)59(56)61(51-36-19-29-43-23-11-13-31-47(43)51)60(58(62)44-24-6-2-7-25-44)50-35-18-28-42-22-10-12-30-46(42)50/h1-40H
InChIKeyNEEVUPKPWCAQGY-UHFFFAOYSA-N
MW889.07 g/mol
LogP15.59
Rot. Bonds7

About 3,4-dinaphthalen-1-yl-2-phenyl-1-[6-phenyl-5-(2-phenylphenyl)triazin-4-yl]indeno[2,1-a]carbazole

3,4-dinaphthalen-1-yl-2-phenyl-1-[6-phenyl-5-(2-phenylphenyl)triazin-4-yl]indeno[2,1-a]carbazole (PubChem CID 166134118) has the molecular formula C66H40N4 and a molecular weight of 889.07 g/mol. Its IUPAC name is 3,4-dinaphthalen-1-yl-2-phenyl-1-[6-phenyl-5-(2-phenylphenyl)triazin-4-yl]indeno[2,1-a]carbazole.

Molecular Properties

Compound Name3,4-dinaphthalen-1-yl-2-phenyl-1-[6-phenyl-5-(2-phenylphenyl)triazin-4-yl]indeno[2,1-a]carbazole
PubChem CID166134118
Molecular FormulaC66H40N4
Molecular Weight889.07 g/mol
Exact Mass888.33
IUPAC Name3,4-dinaphthalen-1-yl-2-phenyl-1-[6-phenyl-5-(2-phenylphenyl)triazin-4-yl]indeno[2,1-a]carbazole
SMILESC1=c2c(ccc3c2=Nc2ccccc2-3)-c2c1c(-c1nnnc(-c3ccccc3)c1-c1ccccc1-c1ccccc1)c(-c1ccccc1)c(-c1cccc3ccccc13)c2-c1cccc2ccccc12
InChIInChI=1S/C66H40N4/c1-4-20-41(21-5-1)48-32-14-15-34-52(48)63-64(45-26-8-3-9-27-45)68-70-69-66(63)62-56-40-55-53(38-39-54-49-33-16-17-37-57(49)67-65(54)55)59(56)61(51-36-19-29-43-23-11-13-31-47(43)51)60(58(62)44-24-6-2-7-25-44)50-35-18-28-42-22-10-12-30-46(42)50/h1-40H
InChIKeyNEEVUPKPWCAQGY-UHFFFAOYSA-N
XLogP15.59
TPSA51.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500889.07
LogP ≤ 515.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-dibenzofuran-1-yl-3,6-diphenylphenyl)-6-phenyl-5-(2-phenylphenyl)triazine
CID 166134711
4-phenyl-5-(2-phenylphenyl)-6-[2-(2-phenylphenyl)phenyl]triazine
CID 171060190
1,1'-biphenyl;1-(2-naphthalen-1-yl-3-phenylphenyl)naphthalene
CID 173119187
1-(5-naphthalen-1-yl-6-phenyltriazin-4-yl)indolo[3,2-c]carbazole
CID 175875644
4-phenyl-5-(2-phenylphenyl)-6-[1-(2-phenylphenyl)dibenzofuran-2-yl]triazine
CID 166133631
4-phenyl-5-(2-phenylphenyl)-6-[2-(2-phenylphenyl)dibenzothiophen-1-yl]triazine
CID 166134291
4-phenyl-6-(1-phenyldibenzoselenophen-2-yl)-5-(2-phenylphenyl)triazine
CID 166133463
9-(2,6-dinaphthalen-1-ylphenyl)-10-(2-phenylphenyl)anthracene
CID 171447346
4,5-diphenyl-6-[2-(2-phenylphenyl)dibenzothiophen-1-yl]triazine
CID 166133527
2-naphthalen-1-yl-1-(2-phenylphenyl)phenanthrene
CID 166133941
5-dibenzofuran-1-yl-4,6-diphenyltriazine
CID 175810934
4-phenyl-5-(2-phenylphenyl)-6-[3-phenyl-2-(2-phenyldibenzothiophen-1-yl)phenyl]triazine
CID 166134551

Frequently Asked Questions

What is the IUPAC name of 3,4-dinaphthalen-1-yl-2-phenyl-1-[6-phenyl-5-(2-phenylphenyl)triazin-4-yl]indeno[2,1-a]carbazole?
The IUPAC name of 3,4-dinaphthalen-1-yl-2-phenyl-1-[6-phenyl-5-(2-phenylphenyl)triazin-4-yl]indeno[2,1-a]carbazole (CID 166134118) is 3,4-dinaphthalen-1-yl-2-phenyl-1-[6-phenyl-5-(2-phenylphenyl)triazin-4-yl]indeno[2,1-a]carbazole.
What is the SMILES notation for 3,4-dinaphthalen-1-yl-2-phenyl-1-[6-phenyl-5-(2-phenylphenyl)triazin-4-yl]indeno[2,1-a]carbazole?
The canonical SMILES for 3,4-dinaphthalen-1-yl-2-phenyl-1-[6-phenyl-5-(2-phenylphenyl)triazin-4-yl]indeno[2,1-a]carbazole is C1=c2c(ccc3c2=Nc2ccccc2-3)-c2c1c(-c1nnnc(-c3ccccc3)c1-c1ccccc1-c1ccccc1)c(-c1ccccc1)c(-c1cccc3ccccc13)c2-c1cccc2ccccc12.
What is the InChIKey of 3,4-dinaphthalen-1-yl-2-phenyl-1-[6-phenyl-5-(2-phenylphenyl)triazin-4-yl]indeno[2,1-a]carbazole?
The InChIKey is NEEVUPKPWCAQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H40N4/c1-4-20-41(21-5-1)48-32-14-15-34-52(48)63-64(45-26-8-3-9-27-45)68-70-69-66(63)62-56-40-55-53(38-39-54-49-33-16-17-37-57(49)67-65(54)55)59(56)61(51-36-19-29-43-23-11-13-31-47(43)51)60(58(62)44-24-6-2-7-25-44)50-35-18-28-42-22-10-12-30-46(42)50/h1-40H.
What are the key properties of 3,4-dinaphthalen-1-yl-2-phenyl-1-[6-phenyl-5-(2-phenylphenyl)triazin-4-yl]indeno[2,1-a]carbazole?
3,4-dinaphthalen-1-yl-2-phenyl-1-[6-phenyl-5-(2-phenylphenyl)triazin-4-yl]indeno[2,1-a]carbazole has a molecular weight of 889.07 g/mol, XLogP of 15.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dinaphthalen-1-yl-2-phenyl-1-[6-phenyl-5-(2-phenylphenyl)triazin-4-yl]indeno[2,1-a]carbazole is sourced from PubChem (CID 166134118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).