6-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]spiro[indeno[1,2-c]quinoline-11,9'-xanthene]

C54H33N3O — CID 168855069

IUPAC6-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]spiro[indeno[1,2-c]quinoline-11,9'-xanthene]
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4cc(-c5nc6ccccc6c6c5-c5ccccc5C65c6ccccc6Oc6ccccc65)ccc4c3)n2)cc1
InChIInChI=1S/C54H33N3O/c1-3-15-34(16-4-1)46-33-47(35-17-5-2-6-18-35)57-53(56-46)39-30-28-36-31-38(29-27-37(36)32-39)52-50-40-19-7-9-21-42(40)54(51(50)41-20-8-12-24-45(41)55-52)43-22-10-13-25-48(43)58-49-26-14-11-23-44(49)54/h1-33H
InChIKeyRQAKGMHNWSODAZ-UHFFFAOYSA-N
MW739.88 g/mol
LogP13.31
Rot. Bonds4

About 6-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]spiro[indeno[1,2-c]quinoline-11,9'-xanthene]

6-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]spiro[indeno[1,2-c]quinoline-11,9'-xanthene] (PubChem CID 168855069) has the molecular formula C54H33N3O and a molecular weight of 739.88 g/mol. Its IUPAC name is 6-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]spiro[indeno[1,2-c]quinoline-11,9'-xanthene].

Molecular Properties

Compound Name6-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]spiro[indeno[1,2-c]quinoline-11,9'-xanthene]
PubChem CID168855069
Molecular FormulaC54H33N3O
Molecular Weight739.88 g/mol
Exact Mass739.26
IUPAC Name6-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]spiro[indeno[1,2-c]quinoline-11,9'-xanthene]
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4cc(-c5nc6ccccc6c6c5-c5ccccc5C65c6ccccc6Oc6ccccc65)ccc4c3)n2)cc1
InChIInChI=1S/C54H33N3O/c1-3-15-34(16-4-1)46-33-47(35-17-5-2-6-18-35)57-53(56-46)39-30-28-36-31-38(29-27-37(36)32-39)52-50-40-19-7-9-21-42(40)54(51(50)41-20-8-12-24-45(41)55-52)43-22-10-13-25-48(43)58-49-26-14-11-23-44(49)54/h1-33H
InChIKeyRQAKGMHNWSODAZ-UHFFFAOYSA-N
XLogP13.31
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.88
LogP ≤ 513.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6'-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]spiro[fluorene-9,11'-indeno[1,2-c]quinoline]
CID 168855290
2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline]
CID 168855233
6'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,11'-indeno[1,2-c]quinoline]
CID 166898547
2'-(4,6-diphenylpyrimidin-2-yl)-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline]
CID 166898676
2,4-diphenyl-6-(6-spiro[benzo[a]fluorene-11,9'-xanthene]-5-ylnaphthalen-2-yl)-1,3,5-triazine
CID 168854945
6-phenyl-4'-[4-(4-phenylquinazolin-2-yl)phenyl]spiro[indeno[1,2-c]quinoline-11,9'-xanthene]
CID 168855212
4-(4-naphthalen-2-ylphenyl)-6-phenyl-2-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidine
CID 158505780
2'-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline]
CID 166898658
6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]spiro[indeno[1,2-c]quinoline-11,9'-xanthene]
CID 168855130
4,6-diphenyl-2-(4-spiro[fluorene-9,9'-xanthene]-1'-ylphenyl)pyrimidine
CID 166737824
6'-[3-(3,5-diphenylphenyl)phenyl]spiro[fluorene-9,11'-indeno[1,2-c]quinoline]
CID 166898643
4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidine;2-(4-phenylphenyl)-4-spiro[fluorene-9,9'-xanthene]-4-ylquinazoline;4-(4-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-4-ylquinazoline
CID 159835450

Frequently Asked Questions

What is the IUPAC name of 6-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]spiro[indeno[1,2-c]quinoline-11,9'-xanthene]?
The IUPAC name of 6-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]spiro[indeno[1,2-c]quinoline-11,9'-xanthene] (CID 168855069) is 6-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]spiro[indeno[1,2-c]quinoline-11,9'-xanthene].
What is the SMILES notation for 6-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]spiro[indeno[1,2-c]quinoline-11,9'-xanthene]?
The canonical SMILES for 6-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]spiro[indeno[1,2-c]quinoline-11,9'-xanthene] is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4cc(-c5nc6ccccc6c6c5-c5ccccc5C65c6ccccc6Oc6ccccc65)ccc4c3)n2)cc1.
What is the InChIKey of 6-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]spiro[indeno[1,2-c]quinoline-11,9'-xanthene]?
The InChIKey is RQAKGMHNWSODAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33N3O/c1-3-15-34(16-4-1)46-33-47(35-17-5-2-6-18-35)57-53(56-46)39-30-28-36-31-38(29-27-37(36)32-39)52-50-40-19-7-9-21-42(40)54(51(50)41-20-8-12-24-45(41)55-52)43-22-10-13-25-48(43)58-49-26-14-11-23-44(49)54/h1-33H.
What are the key properties of 6-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]spiro[indeno[1,2-c]quinoline-11,9'-xanthene]?
6-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]spiro[indeno[1,2-c]quinoline-11,9'-xanthene] has a molecular weight of 739.88 g/mol, XLogP of 13.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]spiro[indeno[1,2-c]quinoline-11,9'-xanthene] is sourced from PubChem (CID 168855069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).