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

C43H30N4 — CID 171421972

IUPAC7-[3-(2,6-diphenylpyrimidin-4-yl)-5-pyridin-4-ylphenyl]-9,9-dimethylfluorene-3-carbonitrile
SMILESCC1(C)c2ccc(C#N)cc2-c2ccc(-c3cc(-c4ccncc4)cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc21
InChIInChI=1S/C43H30N4/c1-43(2)38-16-13-28(27-44)21-37(38)36-15-14-32(25-39(36)43)34-22-33(29-17-19-45-20-18-29)23-35(24-34)41-26-40(30-9-5-3-6-10-30)46-42(47-41)31-11-7-4-8-12-31/h3-26H,1-2H3
InChIKeyYNCZLBAOOCYEAX-UHFFFAOYSA-N
MW602.74 g/mol
LogP10.38
Rot. Bonds5

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

7-[3-(2,6-diphenylpyrimidin-4-yl)-5-pyridin-4-ylphenyl]-9,9-dimethylfluorene-3-carbonitrile (PubChem CID 171421972) has the molecular formula C43H30N4 and a molecular weight of 602.74 g/mol. Its IUPAC name is 7-[3-(2,6-diphenylpyrimidin-4-yl)-5-pyridin-4-ylphenyl]-9,9-dimethylfluorene-3-carbonitrile.

Molecular Properties

Compound Name7-[3-(2,6-diphenylpyrimidin-4-yl)-5-pyridin-4-ylphenyl]-9,9-dimethylfluorene-3-carbonitrile
PubChem CID171421972
Molecular FormulaC43H30N4
Molecular Weight602.74 g/mol
Exact Mass602.25
IUPAC Name7-[3-(2,6-diphenylpyrimidin-4-yl)-5-pyridin-4-ylphenyl]-9,9-dimethylfluorene-3-carbonitrile
SMILESCC1(C)c2ccc(C#N)cc2-c2ccc(-c3cc(-c4ccncc4)cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc21
InChIInChI=1S/C43H30N4/c1-43(2)38-16-13-28(27-44)21-37(38)36-15-14-32(25-39(36)43)34-22-33(29-17-19-45-20-18-29)23-35(24-34)41-26-40(30-9-5-3-6-10-30)46-42(47-41)31-11-7-4-8-12-31/h3-26H,1-2H3
InChIKeyYNCZLBAOOCYEAX-UHFFFAOYSA-N
XLogP10.38
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.74
LogP ≤ 510.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-9,9-dimethylfluorene-3-carbonitrile
CID 162775744
9,9-dimethyl-7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-pyridin-2-ylphenyl]fluorene-3-carbonitrile
CID 171421967
7-[3-(4,6-diphenyl-2-pyridinyl)-5-pyridin-4-ylphenyl]-9,9-dimethylfluorene-2-carbonitrile
CID 171421622
9,9-dimethyl-6-[4-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]fluorene-2-carbonitrile
CID 166796504
7-[3-(3,5-dipyridin-3-ylphenyl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylfluorene-3-carbonitrile
CID 171421600
9,9-dimethyl-7-[4-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-pyridin-3-ylphenyl]phenyl]fluorene-2-carbonitrile
CID 171421414
7-[3-isoquinolin-6-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9,9-dimethylfluorene-2-carbonitrile
CID 171422091
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
2-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine
CID 169294673
9,9-dimethyl-7-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]fluorene-2-carbonitrile
CID 162775748
11,11-dimethyl-2-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-pyridin-3-ylphenyl]benzo[b]fluorene-8-carbonitrile
CID 171421992
6-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-9,9-dimethylfluorene-2-carbonitrile
CID 162776047

Frequently Asked Questions

What is the IUPAC name of 7-[3-(2,6-diphenylpyrimidin-4-yl)-5-pyridin-4-ylphenyl]-9,9-dimethylfluorene-3-carbonitrile?
The IUPAC name of 7-[3-(2,6-diphenylpyrimidin-4-yl)-5-pyridin-4-ylphenyl]-9,9-dimethylfluorene-3-carbonitrile (CID 171421972) is 7-[3-(2,6-diphenylpyrimidin-4-yl)-5-pyridin-4-ylphenyl]-9,9-dimethylfluorene-3-carbonitrile.
What is the SMILES notation for 7-[3-(2,6-diphenylpyrimidin-4-yl)-5-pyridin-4-ylphenyl]-9,9-dimethylfluorene-3-carbonitrile?
The canonical SMILES for 7-[3-(2,6-diphenylpyrimidin-4-yl)-5-pyridin-4-ylphenyl]-9,9-dimethylfluorene-3-carbonitrile is CC1(C)c2ccc(C#N)cc2-c2ccc(-c3cc(-c4ccncc4)cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc21.
What is the InChIKey of 7-[3-(2,6-diphenylpyrimidin-4-yl)-5-pyridin-4-ylphenyl]-9,9-dimethylfluorene-3-carbonitrile?
The InChIKey is YNCZLBAOOCYEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N4/c1-43(2)38-16-13-28(27-44)21-37(38)36-15-14-32(25-39(36)43)34-22-33(29-17-19-45-20-18-29)23-35(24-34)41-26-40(30-9-5-3-6-10-30)46-42(47-41)31-11-7-4-8-12-31/h3-26H,1-2H3.
What are the key properties of 7-[3-(2,6-diphenylpyrimidin-4-yl)-5-pyridin-4-ylphenyl]-9,9-dimethylfluorene-3-carbonitrile?
7-[3-(2,6-diphenylpyrimidin-4-yl)-5-pyridin-4-ylphenyl]-9,9-dimethylfluorene-3-carbonitrile has a molecular weight of 602.74 g/mol, XLogP of 10.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(2,6-diphenylpyrimidin-4-yl)-5-pyridin-4-ylphenyl]-9,9-dimethylfluorene-3-carbonitrile is sourced from PubChem (CID 171421972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).