2-(3-phenylphenyl)-4-(9,9'-spirobi[fluorene]-2-yl)-6-(2,3,5,6-tetradeuterio-4-methylphenyl)pyridine

C49H33N — CID 159036715

IUPAC2-(3-phenylphenyl)-4-(9,9'-spirobi[fluorene]-2-yl)-6-(2,3,5,6-tetradeuterio-4-methylphenyl)pyridine
SMILES[2H]c1c([2H])c(-c2cc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc(-c3cccc(-c4ccccc4)c3)n2)c([2H])c([2H])c1C
InChIInChI=1S/C49H33N/c1-32-22-24-34(25-23-32)47-30-38(31-48(50-47)37-15-11-14-35(28-37)33-12-3-2-4-13-33)36-26-27-42-41-18-7-10-21-45(41)49(46(42)29-36)43-19-8-5-16-39(43)40-17-6-9-20-44(40)49/h2-31H,1H3/i22D,23D,24D,25D
InChIKeyVBXVPRGKUCNBBC-KRVDAMSASA-N
MW639.83 g/mol
LogP12.40
Rot. Bonds4

About 2-(3-phenylphenyl)-4-(9,9'-spirobi[fluorene]-2-yl)-6-(2,3,5,6-tetradeuterio-4-methylphenyl)pyridine

2-(3-phenylphenyl)-4-(9,9'-spirobi[fluorene]-2-yl)-6-(2,3,5,6-tetradeuterio-4-methylphenyl)pyridine (PubChem CID 159036715) has the molecular formula C49H33N and a molecular weight of 639.83 g/mol. Its IUPAC name is 2-(3-phenylphenyl)-4-(9,9'-spirobi[fluorene]-2-yl)-6-(2,3,5,6-tetradeuterio-4-methylphenyl)pyridine.

Molecular Properties

Compound Name2-(3-phenylphenyl)-4-(9,9'-spirobi[fluorene]-2-yl)-6-(2,3,5,6-tetradeuterio-4-methylphenyl)pyridine
PubChem CID159036715
Molecular FormulaC49H33N
Molecular Weight639.83 g/mol
Exact Mass639.29
IUPAC Name2-(3-phenylphenyl)-4-(9,9'-spirobi[fluorene]-2-yl)-6-(2,3,5,6-tetradeuterio-4-methylphenyl)pyridine
SMILES[2H]c1c([2H])c(-c2cc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc(-c3cccc(-c4ccccc4)c3)n2)c([2H])c([2H])c1C
InChIInChI=1S/C49H33N/c1-32-22-24-34(25-23-32)47-30-38(31-48(50-47)37-15-11-14-35(28-37)33-12-3-2-4-13-33)36-26-27-42-41-18-7-10-21-45(41)49(46(42)29-36)43-19-8-5-16-39(43)40-17-6-9-20-44(40)49/h2-31H,1H3/i22D,23D,24D,25D
InChIKeyVBXVPRGKUCNBBC-KRVDAMSASA-N
XLogP12.40
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.83
LogP ≤ 512.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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
2,6-diphenyl-4-[4-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[4-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyridine
CID 158428092
2,6-diphenyl-4-[3-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyridine
CID 134272055
2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]
CID 140831168
2-[3-[7'-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 58943557
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidine
CID 146632493
2,6-diphenyl-4-[3-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyridine
CID 134272050
4-phenyl-2-(3-phenylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)pyridine
CID 142356492
2,4-bis(3-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyridine
CID 142385097
2,4-diphenyl-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrimidine
CID 121450582
2,4-bis(3-phenylphenyl)-6-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine
CID 146648937
CID 146661210
CID 146661210

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylphenyl)-4-(9,9'-spirobi[fluorene]-2-yl)-6-(2,3,5,6-tetradeuterio-4-methylphenyl)pyridine?
The IUPAC name of 2-(3-phenylphenyl)-4-(9,9'-spirobi[fluorene]-2-yl)-6-(2,3,5,6-tetradeuterio-4-methylphenyl)pyridine (CID 159036715) is 2-(3-phenylphenyl)-4-(9,9'-spirobi[fluorene]-2-yl)-6-(2,3,5,6-tetradeuterio-4-methylphenyl)pyridine.
What is the SMILES notation for 2-(3-phenylphenyl)-4-(9,9'-spirobi[fluorene]-2-yl)-6-(2,3,5,6-tetradeuterio-4-methylphenyl)pyridine?
The canonical SMILES for 2-(3-phenylphenyl)-4-(9,9'-spirobi[fluorene]-2-yl)-6-(2,3,5,6-tetradeuterio-4-methylphenyl)pyridine is [2H]c1c([2H])c(-c2cc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc(-c3cccc(-c4ccccc4)c3)n2)c([2H])c([2H])c1C.
What is the InChIKey of 2-(3-phenylphenyl)-4-(9,9'-spirobi[fluorene]-2-yl)-6-(2,3,5,6-tetradeuterio-4-methylphenyl)pyridine?
The InChIKey is VBXVPRGKUCNBBC-KRVDAMSASA-N. The full InChI is InChI=1S/C49H33N/c1-32-22-24-34(25-23-32)47-30-38(31-48(50-47)37-15-11-14-35(28-37)33-12-3-2-4-13-33)36-26-27-42-41-18-7-10-21-45(41)49(46(42)29-36)43-19-8-5-16-39(43)40-17-6-9-20-44(40)49/h2-31H,1H3/i22D,23D,24D,25D.
What are the key properties of 2-(3-phenylphenyl)-4-(9,9'-spirobi[fluorene]-2-yl)-6-(2,3,5,6-tetradeuterio-4-methylphenyl)pyridine?
2-(3-phenylphenyl)-4-(9,9'-spirobi[fluorene]-2-yl)-6-(2,3,5,6-tetradeuterio-4-methylphenyl)pyridine has a molecular weight of 639.83 g/mol, XLogP of 12.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylphenyl)-4-(9,9'-spirobi[fluorene]-2-yl)-6-(2,3,5,6-tetradeuterio-4-methylphenyl)pyridine is sourced from PubChem (CID 159036715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).