7-[3-(4,6-diphenyl-2-pyridinyl)-5-pyridin-4-ylphenyl]-9,9-dimethylfluorene-2-carbonitrile

C44H31N3 — CID 171421622

IUPAC7-[3-(4,6-diphenyl-2-pyridinyl)-5-pyridin-4-ylphenyl]-9,9-dimethylfluorene-2-carbonitrile
SMILESCC1(C)c2cc(C#N)ccc2-c2ccc(-c3cc(-c4ccncc4)cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)c3)cc21
InChIInChI=1S/C44H31N3/c1-44(2)40-21-29(28-45)13-15-38(40)39-16-14-33(25-41(39)44)35-22-34(31-17-19-46-20-18-31)23-37(24-35)43-27-36(30-9-5-3-6-10-30)26-42(47-43)32-11-7-4-8-12-32/h3-27H,1-2H3
InChIKeyLPCRXXORNSSAHE-UHFFFAOYSA-N
MW601.75 g/mol
LogP10.99
Rot. Bonds5

About 7-[3-(4,6-diphenyl-2-pyridinyl)-5-pyridin-4-ylphenyl]-9,9-dimethylfluorene-2-carbonitrile

7-[3-(4,6-diphenyl-2-pyridinyl)-5-pyridin-4-ylphenyl]-9,9-dimethylfluorene-2-carbonitrile (PubChem CID 171421622) has the molecular formula C44H31N3 and a molecular weight of 601.75 g/mol. Its IUPAC name is 7-[3-(4,6-diphenyl-2-pyridinyl)-5-pyridin-4-ylphenyl]-9,9-dimethylfluorene-2-carbonitrile.

Molecular Properties

Compound Name7-[3-(4,6-diphenyl-2-pyridinyl)-5-pyridin-4-ylphenyl]-9,9-dimethylfluorene-2-carbonitrile
PubChem CID171421622
Molecular FormulaC44H31N3
Molecular Weight601.75 g/mol
Exact Mass601.25
IUPAC Name7-[3-(4,6-diphenyl-2-pyridinyl)-5-pyridin-4-ylphenyl]-9,9-dimethylfluorene-2-carbonitrile
SMILESCC1(C)c2cc(C#N)ccc2-c2ccc(-c3cc(-c4ccncc4)cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)c3)cc21
InChIInChI=1S/C44H31N3/c1-44(2)40-21-29(28-45)13-15-38(40)39-16-14-33(25-41(39)44)35-22-34(31-17-19-46-20-18-31)23-37(24-35)43-27-36(30-9-5-3-6-10-30)26-42(47-43)32-11-7-4-8-12-32/h3-27H,1-2H3
InChIKeyLPCRXXORNSSAHE-UHFFFAOYSA-N
XLogP10.99
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.75
LogP ≤ 510.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-[3-(2,6-diphenylpyrimidin-4-yl)-5-pyridin-4-ylphenyl]-9,9-dimethylfluorene-3-carbonitrile
CID 171421972
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
9,9-dimethyl-7-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]fluorene-2-carbonitrile
CID 162775748
7-[3-isoquinolin-6-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9,9-dimethylfluorene-2-carbonitrile
CID 171422091
9,9-dimethyl-7-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidin-2-yl]-2-pyridinyl]fluorene-2-carbonitrile
CID 170371664
7-[3-isoquinolin-5-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9,9-dimethylfluorene-2-carbonitrile
CID 171421378
11,11-dimethyl-2-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-pyridin-3-ylphenyl]benzo[b]fluorene-8-carbonitrile
CID 171421992
2-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine
CID 169294673
9,9-dimethyl-7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-quinolin-2-ylphenyl]fluorene-2-carbonitrile
CID 171422045
7-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-9,9-dimethylfluorene-3-carbonitrile
CID 162775744
9,9-dimethyl-6-[4-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]fluorene-2-carbonitrile
CID 166796504

Frequently Asked Questions

What is the IUPAC name of 7-[3-(4,6-diphenyl-2-pyridinyl)-5-pyridin-4-ylphenyl]-9,9-dimethylfluorene-2-carbonitrile?
The IUPAC name of 7-[3-(4,6-diphenyl-2-pyridinyl)-5-pyridin-4-ylphenyl]-9,9-dimethylfluorene-2-carbonitrile (CID 171421622) is 7-[3-(4,6-diphenyl-2-pyridinyl)-5-pyridin-4-ylphenyl]-9,9-dimethylfluorene-2-carbonitrile.
What is the SMILES notation for 7-[3-(4,6-diphenyl-2-pyridinyl)-5-pyridin-4-ylphenyl]-9,9-dimethylfluorene-2-carbonitrile?
The canonical SMILES for 7-[3-(4,6-diphenyl-2-pyridinyl)-5-pyridin-4-ylphenyl]-9,9-dimethylfluorene-2-carbonitrile is CC1(C)c2cc(C#N)ccc2-c2ccc(-c3cc(-c4ccncc4)cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)c3)cc21.
What is the InChIKey of 7-[3-(4,6-diphenyl-2-pyridinyl)-5-pyridin-4-ylphenyl]-9,9-dimethylfluorene-2-carbonitrile?
The InChIKey is LPCRXXORNSSAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H31N3/c1-44(2)40-21-29(28-45)13-15-38(40)39-16-14-33(25-41(39)44)35-22-34(31-17-19-46-20-18-31)23-37(24-35)43-27-36(30-9-5-3-6-10-30)26-42(47-43)32-11-7-4-8-12-32/h3-27H,1-2H3.
What are the key properties of 7-[3-(4,6-diphenyl-2-pyridinyl)-5-pyridin-4-ylphenyl]-9,9-dimethylfluorene-2-carbonitrile?
7-[3-(4,6-diphenyl-2-pyridinyl)-5-pyridin-4-ylphenyl]-9,9-dimethylfluorene-2-carbonitrile has a molecular weight of 601.75 g/mol, XLogP of 10.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(4,6-diphenyl-2-pyridinyl)-5-pyridin-4-ylphenyl]-9,9-dimethylfluorene-2-carbonitrile is sourced from PubChem (CID 171421622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).