2-phenyl-6-[3-(3-phenylphenyl)phenyl]-4-(9,9'-spirobi[fluorene]-4'-yl)pyridine

C54H35N — CID 142356706

IUPAC2-phenyl-6-[3-(3-phenylphenyl)phenyl]-4-(9,9'-spirobi[fluorene]-4'-yl)pyridine
SMILESc1ccc(-c2cccc(-c3cccc(-c4cc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)cc(-c5ccccc5)n4)c3)c2)cc1
InChIInChI=1S/C54H35N/c1-3-16-36(17-4-1)38-20-13-21-39(32-38)40-22-14-23-41(33-40)52-35-42(34-51(55-52)37-18-5-2-6-19-37)43-27-15-31-50-53(43)46-26-9-12-30-49(46)54(50)47-28-10-7-24-44(47)45-25-8-11-29-48(45)54/h1-35H
InChIKeyMLENZVOIMYINOP-UHFFFAOYSA-N
MW697.88 g/mol
LogP13.76
Rot. Bonds5

About 2-phenyl-6-[3-(3-phenylphenyl)phenyl]-4-(9,9'-spirobi[fluorene]-4'-yl)pyridine

2-phenyl-6-[3-(3-phenylphenyl)phenyl]-4-(9,9'-spirobi[fluorene]-4'-yl)pyridine (PubChem CID 142356706) has the molecular formula C54H35N and a molecular weight of 697.88 g/mol. Its IUPAC name is 2-phenyl-6-[3-(3-phenylphenyl)phenyl]-4-(9,9'-spirobi[fluorene]-4'-yl)pyridine.

Molecular Properties

Compound Name2-phenyl-6-[3-(3-phenylphenyl)phenyl]-4-(9,9'-spirobi[fluorene]-4'-yl)pyridine
PubChem CID142356706
Molecular FormulaC54H35N
Molecular Weight697.88 g/mol
Exact Mass697.28
IUPAC Name2-phenyl-6-[3-(3-phenylphenyl)phenyl]-4-(9,9'-spirobi[fluorene]-4'-yl)pyridine
SMILESc1ccc(-c2cccc(-c3cccc(-c4cc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)cc(-c5ccccc5)n4)c3)c2)cc1
InChIInChI=1S/C54H35N/c1-3-16-36(17-4-1)38-20-13-21-39(32-38)40-22-14-23-41(33-40)52-35-42(34-51(55-52)37-18-5-2-6-19-37)43-27-15-31-50-53(43)46-26-9-12-30-49(46)54(50)47-28-10-7-24-44(47)45-25-8-11-29-48(45)54/h1-35H
InChIKeyMLENZVOIMYINOP-UHFFFAOYSA-N
XLogP13.76
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.88
LogP ≤ 513.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-phenyl-2-(3-phenylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)pyridine
CID 142356492
CID 146661210
CID 146661210
2-phenyl-4-(4-phenylphenyl)-6-[3-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]pyrimidine
CID 134272127
4-(3-phenylphenyl)-6-(4-phenylphenyl)-2-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine
CID 90059569
4,6-diphenyl-2-[3-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]pyrimidine;4,6-diphenyl-2-[3-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]pyrimidine;2,4-diphenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine;4,6-diphenyl-2-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine;4,6-diphenyl-2-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine
CID 161181534
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
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenyl-6-(3-phenylphenyl)pyridine
CID 146661203
4'-[3,5-bis[4-(3,5-diphenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 166563560
2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]pyrimidine
CID 134272112
2,6-diphenyl-4-[3-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyridine
CID 134272055
2,4-diphenyl-6-(4-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-4-ylphenyl)pyridine
CID 153357783
2,6-diphenyl-4-[3-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyridine
CID 134272050

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-[3-(3-phenylphenyl)phenyl]-4-(9,9'-spirobi[fluorene]-4'-yl)pyridine?
The IUPAC name of 2-phenyl-6-[3-(3-phenylphenyl)phenyl]-4-(9,9'-spirobi[fluorene]-4'-yl)pyridine (CID 142356706) is 2-phenyl-6-[3-(3-phenylphenyl)phenyl]-4-(9,9'-spirobi[fluorene]-4'-yl)pyridine.
What is the SMILES notation for 2-phenyl-6-[3-(3-phenylphenyl)phenyl]-4-(9,9'-spirobi[fluorene]-4'-yl)pyridine?
The canonical SMILES for 2-phenyl-6-[3-(3-phenylphenyl)phenyl]-4-(9,9'-spirobi[fluorene]-4'-yl)pyridine is c1ccc(-c2cccc(-c3cccc(-c4cc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)cc(-c5ccccc5)n4)c3)c2)cc1.
What is the InChIKey of 2-phenyl-6-[3-(3-phenylphenyl)phenyl]-4-(9,9'-spirobi[fluorene]-4'-yl)pyridine?
The InChIKey is MLENZVOIMYINOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N/c1-3-16-36(17-4-1)38-20-13-21-39(32-38)40-22-14-23-41(33-40)52-35-42(34-51(55-52)37-18-5-2-6-19-37)43-27-15-31-50-53(43)46-26-9-12-30-49(46)54(50)47-28-10-7-24-44(47)45-25-8-11-29-48(45)54/h1-35H.
What are the key properties of 2-phenyl-6-[3-(3-phenylphenyl)phenyl]-4-(9,9'-spirobi[fluorene]-4'-yl)pyridine?
2-phenyl-6-[3-(3-phenylphenyl)phenyl]-4-(9,9'-spirobi[fluorene]-4'-yl)pyridine has a molecular weight of 697.88 g/mol, XLogP of 13.76, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-[3-(3-phenylphenyl)phenyl]-4-(9,9'-spirobi[fluorene]-4'-yl)pyridine is sourced from PubChem (CID 142356706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).