7-[4-[7-(4-cyanophenyl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluorene-2-carbonitrile

C44H32N2 — CID 170276569

IUPAC7-[4-[7-(4-cyanophenyl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluorene-2-carbonitrile
SMILESCC1(C)c2cc(C#N)ccc2-c2ccc(-c3ccc(-c4ccc5c(c4)C(C)(C)c4cc(-c6ccc(C#N)cc6)ccc4-5)cc3)cc21
InChIInChI=1S/C44H32N2/c1-43(2)39-21-28(26-46)7-17-35(39)36-18-15-33(23-40(36)43)30-10-12-31(13-11-30)34-16-20-38-37-19-14-32(29-8-5-27(25-45)6-9-29)22-41(37)44(3,4)42(38)24-34/h5-24H,1-4H3
InChIKeyLYTRIRIIPKDMBL-UHFFFAOYSA-N
MW588.75 g/mol
LogP11.04
Rot. Bonds3

About 7-[4-[7-(4-cyanophenyl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluorene-2-carbonitrile

7-[4-[7-(4-cyanophenyl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluorene-2-carbonitrile (PubChem CID 170276569) has the molecular formula C44H32N2 and a molecular weight of 588.75 g/mol. Its IUPAC name is 7-[4-[7-(4-cyanophenyl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluorene-2-carbonitrile.

Molecular Properties

Compound Name7-[4-[7-(4-cyanophenyl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluorene-2-carbonitrile
PubChem CID170276569
Molecular FormulaC44H32N2
Molecular Weight588.75 g/mol
Exact Mass588.26
IUPAC Name7-[4-[7-(4-cyanophenyl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluorene-2-carbonitrile
SMILESCC1(C)c2cc(C#N)ccc2-c2ccc(-c3ccc(-c4ccc5c(c4)C(C)(C)c4cc(-c6ccc(C#N)cc6)ccc4-5)cc3)cc21
InChIInChI=1S/C44H32N2/c1-43(2)39-21-28(26-46)7-17-35(39)36-18-15-33(23-40(36)43)30-10-12-31(13-11-30)34-16-20-38-37-19-14-32(29-8-5-27(25-45)6-9-29)22-41(37)44(3,4)42(38)24-34/h5-24H,1-4H3
InChIKeyLYTRIRIIPKDMBL-UHFFFAOYSA-N
XLogP11.04
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.75
LogP ≤ 511.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2',7,7'-tris(4-cyanophenyl)-9,9'-spirobi[fluorene]-2-yl]benzonitrile
CID 59565907
9,9-dimethyl-7-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]fluorene-2-carbonitrile
CID 162775748
7,9,9-trimethylfluorene-2-carbonitrile
CID 129176208
7-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethylfluorene-2-carbonitrile;methane
CID 160828918
7-[4-[4-[4-[amino(diphenyl)methyl]phenyl]naphthalen-1-yl]phenyl]-9,9-dimethylfluorene-2-carbonitrile
CID 142425044
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
6-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-9,9-dimethylfluorene-2-carbonitrile
CID 162776047
9,9-dimethyl-6-[3-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]fluorene-2-carbonitrile
CID 162775792
2-ethynyl-9,9-dimethyl-7-phenylfluorene
CID 59798595
4-(22,22-dimethyl-3,10-diphenyl-19-heptacyclo[13.10.2.02,11.04,9.012,26.016,21.023,27]heptacosa-1(25),2,4,6,8,10,12(26),13,15(27),16(21),17,19,23-tridecaenyl)benzonitrile
CID 153275974
3-[10-[4-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-9-yl]benzonitrile
CID 89026938

Frequently Asked Questions

What is the IUPAC name of 7-[4-[7-(4-cyanophenyl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluorene-2-carbonitrile?
The IUPAC name of 7-[4-[7-(4-cyanophenyl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluorene-2-carbonitrile (CID 170276569) is 7-[4-[7-(4-cyanophenyl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluorene-2-carbonitrile.
What is the SMILES notation for 7-[4-[7-(4-cyanophenyl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluorene-2-carbonitrile?
The canonical SMILES for 7-[4-[7-(4-cyanophenyl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluorene-2-carbonitrile is CC1(C)c2cc(C#N)ccc2-c2ccc(-c3ccc(-c4ccc5c(c4)C(C)(C)c4cc(-c6ccc(C#N)cc6)ccc4-5)cc3)cc21.
What is the InChIKey of 7-[4-[7-(4-cyanophenyl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluorene-2-carbonitrile?
The InChIKey is LYTRIRIIPKDMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32N2/c1-43(2)39-21-28(26-46)7-17-35(39)36-18-15-33(23-40(36)43)30-10-12-31(13-11-30)34-16-20-38-37-19-14-32(29-8-5-27(25-45)6-9-29)22-41(37)44(3,4)42(38)24-34/h5-24H,1-4H3.
What are the key properties of 7-[4-[7-(4-cyanophenyl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluorene-2-carbonitrile?
7-[4-[7-(4-cyanophenyl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluorene-2-carbonitrile has a molecular weight of 588.75 g/mol, XLogP of 11.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[7-(4-cyanophenyl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluorene-2-carbonitrile is sourced from PubChem (CID 170276569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).