6'-[3-(3,5-diphenylphenyl)phenyl]spiro[fluorene-9,11'-indeno[1,2-c]quinoline]

C52H33N — CID 166898643

IUPAC6'-[3-(3,5-diphenylphenyl)phenyl]spiro[fluorene-9,11'-indeno[1,2-c]quinoline]
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4nc5ccccc5c5c4-c4ccccc4C54c5ccccc5-c5ccccc54)c3)c2)cc1
InChIInChI=1S/C52H33N/c1-3-16-34(17-4-1)38-31-39(35-18-5-2-6-19-35)33-40(32-38)36-20-15-21-37(30-36)51-49-43-24-9-13-28-47(43)52(50(49)44-25-10-14-29-48(44)53-51)45-26-11-7-22-41(45)42-23-8-12-27-46(42)52/h1-33H
InChIKeyRLFDOCVDGSAQFX-UHFFFAOYSA-N
MW671.84 g/mol
LogP13.25
Rot. Bonds4

About 6'-[3-(3,5-diphenylphenyl)phenyl]spiro[fluorene-9,11'-indeno[1,2-c]quinoline]

6'-[3-(3,5-diphenylphenyl)phenyl]spiro[fluorene-9,11'-indeno[1,2-c]quinoline] (PubChem CID 166898643) has the molecular formula C52H33N and a molecular weight of 671.84 g/mol. Its IUPAC name is 6'-[3-(3,5-diphenylphenyl)phenyl]spiro[fluorene-9,11'-indeno[1,2-c]quinoline].

Molecular Properties

Compound Name6'-[3-(3,5-diphenylphenyl)phenyl]spiro[fluorene-9,11'-indeno[1,2-c]quinoline]
PubChem CID166898643
Molecular FormulaC52H33N
Molecular Weight671.84 g/mol
Exact Mass671.26
IUPAC Name6'-[3-(3,5-diphenylphenyl)phenyl]spiro[fluorene-9,11'-indeno[1,2-c]quinoline]
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4nc5ccccc5c5c4-c4ccccc4C54c5ccccc5-c5ccccc54)c3)c2)cc1
InChIInChI=1S/C52H33N/c1-3-16-34(17-4-1)38-31-39(35-18-5-2-6-19-35)33-40(32-38)36-20-15-21-37(30-36)51-49-43-24-9-13-28-47(43)52(50(49)44-25-10-14-29-48(44)53-51)45-26-11-7-22-41(45)42-23-8-12-27-46(42)52/h1-33H
InChIKeyRLFDOCVDGSAQFX-UHFFFAOYSA-N
XLogP13.25
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.84
LogP ≤ 513.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6'-[3-(3,5-diphenylphenyl)phenyl]spiro[fluorene-9,11'-indeno[1,2-c]quinoline] with MolForge

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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
6'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,11'-indeno[1,2-c]quinoline]
CID 166898547
4-bromo-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline]
CID 166898406
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
2'-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline]
CID 166898658
2-phenyl-6-(3-phenylphenyl)-4-(3-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylphenyl)pyridine
CID 165152302
6-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]spiro[indeno[1,2-c]quinoline-11,9'-xanthene]
CID 168855069
2'-(4,6-diphenylpyrimidin-2-yl)-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline]
CID 166898676
4,6-bis(3-phenylphenyl)-2-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylpyrimidine
CID 165152179
2-phenyl-4-(3-phenylphenyl)-6-spiro[benzo[a]fluorene-11,9'-fluorene]-6-yl-1,3,5-triazine
CID 165151929
6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]spiro[indeno[1,2-c]quinoline-11,9'-xanthene]
CID 168855130
2-(3,5-diphenylphenyl)-4-phenyl-6-(4-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylphenyl)-1,3,5-triazine
CID 165152132

Frequently Asked Questions

What is the IUPAC name of 6'-[3-(3,5-diphenylphenyl)phenyl]spiro[fluorene-9,11'-indeno[1,2-c]quinoline]?
The IUPAC name of 6'-[3-(3,5-diphenylphenyl)phenyl]spiro[fluorene-9,11'-indeno[1,2-c]quinoline] (CID 166898643) is 6'-[3-(3,5-diphenylphenyl)phenyl]spiro[fluorene-9,11'-indeno[1,2-c]quinoline].
What is the SMILES notation for 6'-[3-(3,5-diphenylphenyl)phenyl]spiro[fluorene-9,11'-indeno[1,2-c]quinoline]?
The canonical SMILES for 6'-[3-(3,5-diphenylphenyl)phenyl]spiro[fluorene-9,11'-indeno[1,2-c]quinoline] is c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4nc5ccccc5c5c4-c4ccccc4C54c5ccccc5-c5ccccc54)c3)c2)cc1.
What is the InChIKey of 6'-[3-(3,5-diphenylphenyl)phenyl]spiro[fluorene-9,11'-indeno[1,2-c]quinoline]?
The InChIKey is RLFDOCVDGSAQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N/c1-3-16-34(17-4-1)38-31-39(35-18-5-2-6-19-35)33-40(32-38)36-20-15-21-37(30-36)51-49-43-24-9-13-28-47(43)52(50(49)44-25-10-14-29-48(44)53-51)45-26-11-7-22-41(45)42-23-8-12-27-46(42)52/h1-33H.
What are the key properties of 6'-[3-(3,5-diphenylphenyl)phenyl]spiro[fluorene-9,11'-indeno[1,2-c]quinoline]?
6'-[3-(3,5-diphenylphenyl)phenyl]spiro[fluorene-9,11'-indeno[1,2-c]quinoline] has a molecular weight of 671.84 g/mol, XLogP of 13.25, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-[3-(3,5-diphenylphenyl)phenyl]spiro[fluorene-9,11'-indeno[1,2-c]quinoline] is sourced from PubChem (CID 166898643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).