7'-[3-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]-5-pyridin-3-ylphenyl]-9,9'-spirobi[fluorene]-2'-carbonitrile

C60H37N3 — CID 171421385

IUPAC7'-[3-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]-5-pyridin-3-ylphenyl]-9,9'-spirobi[fluorene]-2'-carbonitrile
SMILESN#Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(-c3cc(-c4cccnc4)cc(-c4cc(-c5ccc(-c6ccccc6)cc5)cc(-c5ccccc5)n4)c3)ccc1-2
InChIInChI=1S/C60H37N3/c61-37-39-21-27-52-53-28-26-44(34-57(53)60(56(52)30-39)54-19-9-7-17-50(54)51-18-8-10-20-55(51)60)46-31-47(45-16-11-29-62-38-45)33-49(32-46)59-36-48(35-58(63-59)43-14-5-2-6-15-43)42-24-22-41(23-25-42)40-12-3-1-4-13-40/h1-36,38H
InChIKeyRKPAZBZMBUVPEY-UHFFFAOYSA-N
MW799.98 g/mol
LogP14.69
Rot. Bonds6

About 7'-[3-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]-5-pyridin-3-ylphenyl]-9,9'-spirobi[fluorene]-2'-carbonitrile

7'-[3-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]-5-pyridin-3-ylphenyl]-9,9'-spirobi[fluorene]-2'-carbonitrile (PubChem CID 171421385) has the molecular formula C60H37N3 and a molecular weight of 799.98 g/mol. Its IUPAC name is 7'-[3-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]-5-pyridin-3-ylphenyl]-9,9'-spirobi[fluorene]-2'-carbonitrile.

Molecular Properties

Compound Name7'-[3-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]-5-pyridin-3-ylphenyl]-9,9'-spirobi[fluorene]-2'-carbonitrile
PubChem CID171421385
Molecular FormulaC60H37N3
Molecular Weight799.98 g/mol
Exact Mass799.30
IUPAC Name7'-[3-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]-5-pyridin-3-ylphenyl]-9,9'-spirobi[fluorene]-2'-carbonitrile
SMILESN#Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(-c3cc(-c4cccnc4)cc(-c4cc(-c5ccc(-c6ccccc6)cc5)cc(-c5ccccc5)n4)c3)ccc1-2
InChIInChI=1S/C60H37N3/c61-37-39-21-27-52-53-28-26-44(34-57(53)60(56(52)30-39)54-19-9-7-17-50(54)51-18-8-10-20-55(51)60)46-31-47(45-16-11-29-62-38-45)33-49(32-46)59-36-48(35-58(63-59)43-14-5-2-6-15-43)42-24-22-41(23-25-42)40-12-3-1-4-13-40/h1-36,38H
InChIKeyRKPAZBZMBUVPEY-UHFFFAOYSA-N
XLogP14.69
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500799.98
LogP ≤ 514.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-[3-(2,6-dipyridin-3-yl-4-pyridinyl)-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9,9-dimethylfluorene-2-carbonitrile
CID 171421530
9,9-dimethyl-7-[4-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-pyridin-3-ylphenyl]phenyl]fluorene-2-carbonitrile
CID 171421414
4-(2-pyridin-3-yl-6-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'-ylpyrimidin-4-yl)benzonitrile
CID 130267974
7'-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-9,9'-spirobi[fluorene]-2'-carbonitrile
CID 162775697
11,11-dimethyl-2-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-pyridin-3-ylphenyl]benzo[b]fluorene-8-carbonitrile
CID 171421992
7-[3-(4,6-diphenyl-2-pyridinyl)-5-pyridin-4-ylphenyl]-9,9-dimethylfluorene-2-carbonitrile
CID 171421622
9,9-dimethyl-7-[3-[4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]-5-pyridin-3-ylphenyl]fluorene-2-carbonitrile
CID 171421672
9,9-diphenyl-7-[3-[4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]-5-pyridin-2-ylphenyl]fluorene-2-carbonitrile
CID 171421536
6-[4-[3-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-carbonitrile
CID 162776189
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
7'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-carbonitrile
CID 162776381
9,9-dimethyl-7-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-pyridin-3-ylphenyl]fluorene-2-carbonitrile
CID 171421888

Frequently Asked Questions

What is the IUPAC name of 7'-[3-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]-5-pyridin-3-ylphenyl]-9,9'-spirobi[fluorene]-2'-carbonitrile?
The IUPAC name of 7'-[3-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]-5-pyridin-3-ylphenyl]-9,9'-spirobi[fluorene]-2'-carbonitrile (CID 171421385) is 7'-[3-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]-5-pyridin-3-ylphenyl]-9,9'-spirobi[fluorene]-2'-carbonitrile.
What is the SMILES notation for 7'-[3-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]-5-pyridin-3-ylphenyl]-9,9'-spirobi[fluorene]-2'-carbonitrile?
The canonical SMILES for 7'-[3-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]-5-pyridin-3-ylphenyl]-9,9'-spirobi[fluorene]-2'-carbonitrile is N#Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(-c3cc(-c4cccnc4)cc(-c4cc(-c5ccc(-c6ccccc6)cc5)cc(-c5ccccc5)n4)c3)ccc1-2.
What is the InChIKey of 7'-[3-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]-5-pyridin-3-ylphenyl]-9,9'-spirobi[fluorene]-2'-carbonitrile?
The InChIKey is RKPAZBZMBUVPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H37N3/c61-37-39-21-27-52-53-28-26-44(34-57(53)60(56(52)30-39)54-19-9-7-17-50(54)51-18-8-10-20-55(51)60)46-31-47(45-16-11-29-62-38-45)33-49(32-46)59-36-48(35-58(63-59)43-14-5-2-6-15-43)42-24-22-41(23-25-42)40-12-3-1-4-13-40/h1-36,38H.
What are the key properties of 7'-[3-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]-5-pyridin-3-ylphenyl]-9,9'-spirobi[fluorene]-2'-carbonitrile?
7'-[3-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]-5-pyridin-3-ylphenyl]-9,9'-spirobi[fluorene]-2'-carbonitrile has a molecular weight of 799.98 g/mol, XLogP of 14.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-[3-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]-5-pyridin-3-ylphenyl]-9,9'-spirobi[fluorene]-2'-carbonitrile is sourced from PubChem (CID 171421385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).