4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-yl-10,10-diphenylindeno[1,2-g]quinoline

C59H38N4 — CID 146594822

IUPAC4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-yl-10,10-diphenylindeno[1,2-g]quinoline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cc(-c5ccc6ccccc6c5)nc5cc6c(cc45)-c4ccccc4C6(c4ccccc4)c4ccccc4)c3)n2)cc1
InChIInChI=1S/C59H38N4/c1-5-19-40(20-6-1)56-61-57(41-21-7-2-8-22-41)63-58(62-56)45-25-17-24-43(35-45)49-37-54(44-33-32-39-18-13-14-23-42(39)34-44)60-55-38-53-50(36-51(49)55)48-30-15-16-31-52(48)59(53,46-26-9-3-10-27-46)47-28-11-4-12-29-47/h1-38H
InChIKeyQTQCYRVBUUEOBV-UHFFFAOYSA-N
MW802.98 g/mol
LogP14.27
Rot. Bonds7

About 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-yl-10,10-diphenylindeno[1,2-g]quinoline

4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-yl-10,10-diphenylindeno[1,2-g]quinoline (PubChem CID 146594822) has the molecular formula C59H38N4 and a molecular weight of 802.98 g/mol. Its IUPAC name is 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-yl-10,10-diphenylindeno[1,2-g]quinoline.

Molecular Properties

Compound Name4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-yl-10,10-diphenylindeno[1,2-g]quinoline
PubChem CID146594822
Molecular FormulaC59H38N4
Molecular Weight802.98 g/mol
Exact Mass802.31
IUPAC Name4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-yl-10,10-diphenylindeno[1,2-g]quinoline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cc(-c5ccc6ccccc6c5)nc5cc6c(cc45)-c4ccccc4C6(c4ccccc4)c4ccccc4)c3)n2)cc1
InChIInChI=1S/C59H38N4/c1-5-19-40(20-6-1)56-61-57(41-21-7-2-8-22-41)63-58(62-56)45-25-17-24-43(35-45)49-37-54(44-33-32-39-18-13-14-23-42(39)34-44)60-55-38-53-50(36-51(49)55)48-30-15-16-31-52(48)59(53,46-26-9-3-10-27-46)47-28-11-4-12-29-47/h1-38H
InChIKeyQTQCYRVBUUEOBV-UHFFFAOYSA-N
XLogP14.27
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.98
LogP ≤ 514.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,10,10-triphenyl-2-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indeno[1,2-g]quinoline
CID 137437790
4'-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2'-naphthalen-1-ylspiro[fluorene-9,10'-indeno[1,2-g]quinoline];4'-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2'-naphthalen-2-ylspiro[fluorene-9,10'-indeno[1,2-g]quinoline];4'-[3-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]-2'-phenylspiro[fluorene-9,10'-indeno[1,2-g]quinoline]
CID 161079471
2'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4'-phenylspiro[fluorene-9,10'-indeno[1,2-g]quinoline]
CID 137437785
2-[3-(2-naphthalen-2-yl-9,9-diphenylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 137413712
4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-naphthalen-1-yl-10,10-diphenylindeno[1,2-g]quinoline
CID 146594841
4-[3-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]-2,10,10-triphenylindeno[1,2-g]quinoline
CID 146595227
4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2,10,10-triphenylindeno[1,2-g]quinoline
CID 146595082
4'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2'-(2-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-g]quinoline]
CID 146595249
2-[3-(9,9-diphenylfluoren-2-yl)-5-naphthalen-1-ylphenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 171592300
2-(9,9-diphenylfluoren-3-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 149082665
4-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-naphthalen-2-yl-2-(4-phenylphenyl)pyrimidine
CID 168778142
4-[3-[3-(3'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3-[3-(3'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine;2-[3-[3-(3'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 158657443

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-yl-10,10-diphenylindeno[1,2-g]quinoline?
The IUPAC name of 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-yl-10,10-diphenylindeno[1,2-g]quinoline (CID 146594822) is 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-yl-10,10-diphenylindeno[1,2-g]quinoline.
What is the SMILES notation for 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-yl-10,10-diphenylindeno[1,2-g]quinoline?
The canonical SMILES for 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-yl-10,10-diphenylindeno[1,2-g]quinoline is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cc(-c5ccc6ccccc6c5)nc5cc6c(cc45)-c4ccccc4C6(c4ccccc4)c4ccccc4)c3)n2)cc1.
What is the InChIKey of 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-yl-10,10-diphenylindeno[1,2-g]quinoline?
The InChIKey is QTQCYRVBUUEOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38N4/c1-5-19-40(20-6-1)56-61-57(41-21-7-2-8-22-41)63-58(62-56)45-25-17-24-43(35-45)49-37-54(44-33-32-39-18-13-14-23-42(39)34-44)60-55-38-53-50(36-51(49)55)48-30-15-16-31-52(48)59(53,46-26-9-3-10-27-46)47-28-11-4-12-29-47/h1-38H.
What are the key properties of 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-yl-10,10-diphenylindeno[1,2-g]quinoline?
4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-yl-10,10-diphenylindeno[1,2-g]quinoline has a molecular weight of 802.98 g/mol, XLogP of 14.27, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-yl-10,10-diphenylindeno[1,2-g]quinoline is sourced from PubChem (CID 146594822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).