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

C60H39N3 — CID 146594841

IUPAC4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-naphthalen-1-yl-10,10-diphenylindeno[1,2-g]quinoline
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cc(-c5cccc6ccccc56)nc5cc6c(cc45)-c4ccccc4C6(c4ccccc4)c4ccccc4)c3)n2)cc1
InChIInChI=1S/C60H39N3/c1-5-20-41(21-6-1)55-39-56(42-22-7-2-8-23-42)63-59(62-55)44-26-17-25-43(35-44)50-37-57(49-33-18-24-40-19-13-14-31-47(40)49)61-58-38-54-51(36-52(50)58)48-32-15-16-34-53(48)60(54,45-27-9-3-10-28-45)46-29-11-4-12-30-46/h1-39H
InChIKeySYXZQERGMDQIOW-UHFFFAOYSA-N
MW801.99 g/mol
LogP14.88
Rot. Bonds7

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

4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-naphthalen-1-yl-10,10-diphenylindeno[1,2-g]quinoline (PubChem CID 146594841) has the molecular formula C60H39N3 and a molecular weight of 801.99 g/mol. Its IUPAC name is 4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-naphthalen-1-yl-10,10-diphenylindeno[1,2-g]quinoline.

Molecular Properties

Compound Name4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-naphthalen-1-yl-10,10-diphenylindeno[1,2-g]quinoline
PubChem CID146594841
Molecular FormulaC60H39N3
Molecular Weight801.99 g/mol
Exact Mass801.31
IUPAC Name4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-naphthalen-1-yl-10,10-diphenylindeno[1,2-g]quinoline
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cc(-c5cccc6ccccc56)nc5cc6c(cc45)-c4ccccc4C6(c4ccccc4)c4ccccc4)c3)n2)cc1
InChIInChI=1S/C60H39N3/c1-5-20-41(21-6-1)55-39-56(42-22-7-2-8-23-42)63-59(62-55)44-26-17-25-43(35-44)50-37-57(49-33-18-24-40-19-13-14-31-47(40)49)61-58-38-54-51(36-52(50)58)48-32-15-16-34-53(48)60(54,45-27-9-3-10-28-45)46-29-11-4-12-30-46/h1-39H
InChIKeySYXZQERGMDQIOW-UHFFFAOYSA-N
XLogP14.88
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.99
LogP ≤ 514.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-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
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
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-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2,10,10-triphenylindeno[1,2-g]quinoline
CID 146595082
4-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-naphthalen-1-yl-6-phenylpyrimidine
CID 168778980
4-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 168777375
4-[3-(2-naphthalen-1-yl-9,9-diphenylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine
CID 146367936
4-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-10,10-dimethyl-2-naphthalen-1-ylindeno[1,2-g]quinoline
CID 146595098
4-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-5-phenylphenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline
CID 146595085
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
4-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-yl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 168776635

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-naphthalen-1-yl-10,10-diphenylindeno[1,2-g]quinoline?
The IUPAC name of 4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-naphthalen-1-yl-10,10-diphenylindeno[1,2-g]quinoline (CID 146594841) is 4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-naphthalen-1-yl-10,10-diphenylindeno[1,2-g]quinoline.
What is the SMILES notation for 4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-naphthalen-1-yl-10,10-diphenylindeno[1,2-g]quinoline?
The canonical SMILES for 4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-naphthalen-1-yl-10,10-diphenylindeno[1,2-g]quinoline is c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cc(-c5cccc6ccccc56)nc5cc6c(cc45)-c4ccccc4C6(c4ccccc4)c4ccccc4)c3)n2)cc1.
What is the InChIKey of 4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-naphthalen-1-yl-10,10-diphenylindeno[1,2-g]quinoline?
The InChIKey is SYXZQERGMDQIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39N3/c1-5-20-41(21-6-1)55-39-56(42-22-7-2-8-23-42)63-59(62-55)44-26-17-25-43(35-44)50-37-57(49-33-18-24-40-19-13-14-31-47(40)49)61-58-38-54-51(36-52(50)58)48-32-15-16-34-53(48)60(54,45-27-9-3-10-28-45)46-29-11-4-12-30-46/h1-39H.
What are the key properties of 4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-naphthalen-1-yl-10,10-diphenylindeno[1,2-g]quinoline?
4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-naphthalen-1-yl-10,10-diphenylindeno[1,2-g]quinoline has a molecular weight of 801.99 g/mol, XLogP of 14.88, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-naphthalen-1-yl-10,10-diphenylindeno[1,2-g]quinoline is sourced from PubChem (CID 146594841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).