2-(4-phenylphenyl)-4-[4-[6-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]phenyl]quinoline

C62H39N — CID 129302329

IUPAC2-(4-phenylphenyl)-4-[4-[6-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]phenyl]quinoline
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc6cc(-c7ccc8c(c7)C7(c9ccccc9-c9ccccc97)c7ccccc7-8)ccc6c5)cc4)c4ccccc4n3)cc2)cc1
InChIInChI=1S/C62H39N/c1-2-12-40(13-3-1)41-24-28-44(29-25-41)61-39-55(54-17-7-11-21-60(54)63-61)43-26-22-42(23-27-43)45-30-31-47-37-48(33-32-46(47)36-45)49-34-35-53-52-16-6-10-20-58(52)62(59(53)38-49)56-18-8-4-14-50(56)51-15-5-9-19-57(51)62/h1-39H
InChIKeyOPVFCKBCWPICRZ-UHFFFAOYSA-N
MW798.00 g/mol
LogP16.07
Rot. Bonds5

About 2-(4-phenylphenyl)-4-[4-[6-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]phenyl]quinoline

2-(4-phenylphenyl)-4-[4-[6-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]phenyl]quinoline (PubChem CID 129302329) has the molecular formula C62H39N and a molecular weight of 798.00 g/mol. Its IUPAC name is 2-(4-phenylphenyl)-4-[4-[6-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]phenyl]quinoline.

Molecular Properties

Compound Name2-(4-phenylphenyl)-4-[4-[6-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]phenyl]quinoline
PubChem CID129302329
Molecular FormulaC62H39N
Molecular Weight798.00 g/mol
Exact Mass797.31
IUPAC Name2-(4-phenylphenyl)-4-[4-[6-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]phenyl]quinoline
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc6cc(-c7ccc8c(c7)C7(c9ccccc9-c9ccccc97)c7ccccc7-8)ccc6c5)cc4)c4ccccc4n3)cc2)cc1
InChIInChI=1S/C62H39N/c1-2-12-40(13-3-1)41-24-28-44(29-25-41)61-39-55(54-17-7-11-21-60(54)63-61)43-26-22-42(23-27-43)45-30-31-47-37-48(33-32-46(47)36-45)49-34-35-53-52-16-6-10-20-58(52)62(59(53)38-49)56-18-8-4-14-50(56)51-15-5-9-19-57(51)62/h1-39H
InChIKeyOPVFCKBCWPICRZ-UHFFFAOYSA-N
XLogP16.07
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.00
LogP ≤ 516.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[4-[6-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl]phenyl]-2-phenanthren-2-ylquinoline
CID 129302258
4-[4-[7-(9-cyclohexa-1,2,3,5-tetraen-1-yl-9-phenylfluoren-2-yl)naphthalen-2-yl]phenyl]-2-phenylquinoline
CID 129302449
2-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)quinoline
CID 167177433
2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]phenyl]-4,6-diphenylpyridine
CID 153302578
2,4-diphenyl-6-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,4-diphenyl-6-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine
CID 161308623
4-phenyl-2-[4-[4-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-2-yl]phenyl]phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidine
CID 88557841
4-phenyl-2-pyridin-2-yl-6-[7-(9,9'-spirobi[fluorene]-2-yl)phenanthren-2-yl]quinoline
CID 135132558
2,4-diphenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 118426846
2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]
CID 140710700
2-phenyl-4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 129150894
2',7'-bis[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]
CID 58174873
4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine
CID 130261218

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenyl)-4-[4-[6-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]phenyl]quinoline?
The IUPAC name of 2-(4-phenylphenyl)-4-[4-[6-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]phenyl]quinoline (CID 129302329) is 2-(4-phenylphenyl)-4-[4-[6-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]phenyl]quinoline.
What is the SMILES notation for 2-(4-phenylphenyl)-4-[4-[6-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]phenyl]quinoline?
The canonical SMILES for 2-(4-phenylphenyl)-4-[4-[6-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]phenyl]quinoline is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc6cc(-c7ccc8c(c7)C7(c9ccccc9-c9ccccc97)c7ccccc7-8)ccc6c5)cc4)c4ccccc4n3)cc2)cc1.
What is the InChIKey of 2-(4-phenylphenyl)-4-[4-[6-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]phenyl]quinoline?
The InChIKey is OPVFCKBCWPICRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39N/c1-2-12-40(13-3-1)41-24-28-44(29-25-41)61-39-55(54-17-7-11-21-60(54)63-61)43-26-22-42(23-27-43)45-30-31-47-37-48(33-32-46(47)36-45)49-34-35-53-52-16-6-10-20-58(52)62(59(53)38-49)56-18-8-4-14-50(56)51-15-5-9-19-57(51)62/h1-39H.
What are the key properties of 2-(4-phenylphenyl)-4-[4-[6-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]phenyl]quinoline?
2-(4-phenylphenyl)-4-[4-[6-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]phenyl]quinoline has a molecular weight of 798.00 g/mol, XLogP of 16.07, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenyl)-4-[4-[6-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]phenyl]quinoline is sourced from PubChem (CID 129302329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).