9,9-dimethyl-7-[4-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]fluorene-4-carbonitrile

C42H29N3 — CID 162775710

IUPAC9,9-dimethyl-7-[4-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]fluorene-4-carbonitrile
SMILESCC1(C)c2cc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccc6ccccc6c5)n4)cc3)ccc2-c2c(C#N)cccc21
InChIInChI=1S/C42H29N3/c1-42(2)36-14-8-13-34(26-43)40(36)35-22-21-32(24-37(35)42)28-15-18-30(19-16-28)39-25-38(29-10-4-3-5-11-29)44-41(45-39)33-20-17-27-9-6-7-12-31(27)23-33/h3-25H,1-2H3
InChIKeyMVNDZRKJJUHXCV-UHFFFAOYSA-N
MW575.72 g/mol
LogP10.48
Rot. Bonds4

About 9,9-dimethyl-7-[4-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]fluorene-4-carbonitrile

9,9-dimethyl-7-[4-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]fluorene-4-carbonitrile (PubChem CID 162775710) has the molecular formula C42H29N3 and a molecular weight of 575.72 g/mol. Its IUPAC name is 9,9-dimethyl-7-[4-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]fluorene-4-carbonitrile.

Molecular Properties

Compound Name9,9-dimethyl-7-[4-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]fluorene-4-carbonitrile
PubChem CID162775710
Molecular FormulaC42H29N3
Molecular Weight575.72 g/mol
Exact Mass575.24
IUPAC Name9,9-dimethyl-7-[4-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]fluorene-4-carbonitrile
SMILESCC1(C)c2cc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccc6ccccc6c5)n4)cc3)ccc2-c2c(C#N)cccc21
InChIInChI=1S/C42H29N3/c1-42(2)36-14-8-13-34(26-43)40(36)35-22-21-32(24-37(35)42)28-15-18-30(19-16-28)39-25-38(29-10-4-3-5-11-29)44-41(45-39)33-20-17-27-9-6-7-12-31(27)23-33/h3-25H,1-2H3
InChIKeyMVNDZRKJJUHXCV-UHFFFAOYSA-N
XLogP10.48
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.72
LogP ≤ 510.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9,9-dimethyl-7-[3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]fluorene-4-carbonitrile
CID 166796610
7-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile
CID 138749717
7-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile
CID 138750088
9,9-dimethyl-6-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluorene-4-carbonitrile
CID 166796594
9,9-dimethyl-6-[4-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]fluorene-4-carbonitrile
CID 159895253
2-[3-[3-(9,9-dimethyl-3-naphthalen-2-ylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4-[3-[3-(9,9-dimethyl-3-naphthalen-2-ylfluoren-2-yl)phenyl]phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;4-[3-[3-(9,9-dimethyl-3-naphthalen-2-ylfluoren-2-yl)phenyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 158103642
6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylfluorene-4-carbonitrile
CID 166796495
2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 121450777
2-(9,9-dimethylfluoren-2-yl)-4-(9,9-dimethylfluoren-4-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 170927879
7-[4-[1-[4-[4-[3-[6-[4-(7-cyano-9,9-dimethylfluoren-2-yl)phenyl]-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile
CID 138749895
9,9-dimethyl-5-[3-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]phenyl]fluorene-3-carbonitrile
CID 166796708
4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-[6-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-2-yl]-2-phenylpyrimidine
CID 176793584

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-7-[4-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]fluorene-4-carbonitrile?
The IUPAC name of 9,9-dimethyl-7-[4-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]fluorene-4-carbonitrile (CID 162775710) is 9,9-dimethyl-7-[4-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]fluorene-4-carbonitrile.
What is the SMILES notation for 9,9-dimethyl-7-[4-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]fluorene-4-carbonitrile?
The canonical SMILES for 9,9-dimethyl-7-[4-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]fluorene-4-carbonitrile is CC1(C)c2cc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccc6ccccc6c5)n4)cc3)ccc2-c2c(C#N)cccc21.
What is the InChIKey of 9,9-dimethyl-7-[4-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]fluorene-4-carbonitrile?
The InChIKey is MVNDZRKJJUHXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29N3/c1-42(2)36-14-8-13-34(26-43)40(36)35-22-21-32(24-37(35)42)28-15-18-30(19-16-28)39-25-38(29-10-4-3-5-11-29)44-41(45-39)33-20-17-27-9-6-7-12-31(27)23-33/h3-25H,1-2H3.
What are the key properties of 9,9-dimethyl-7-[4-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]fluorene-4-carbonitrile?
9,9-dimethyl-7-[4-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]fluorene-4-carbonitrile has a molecular weight of 575.72 g/mol, XLogP of 10.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-7-[4-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]fluorene-4-carbonitrile is sourced from PubChem (CID 162775710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).