5-hydroxy-7,7-dimethylbenzo[g]fluorene-3,9-dicarbonitrile

C21H14N2O — CID 68530423

IUPAC5-hydroxy-7,7-dimethylbenzo[g]fluorene-3,9-dicarbonitrile
SMILESCC1(C)c2cc(C#N)ccc2-c2c1cc(O)c1cc(C#N)ccc21
InChIInChI=1S/C21H14N2O/c1-21(2)17-8-13(11-23)4-6-15(17)20-14-5-3-12(10-22)7-16(14)19(24)9-18(20)21/h3-9,24H,1-2H3
InChIKeyLPYMYHYXYSGDBQ-UHFFFAOYSA-N
MW310.36 g/mol
LogP4.60
Rot. Bonds

About 5-hydroxy-7,7-dimethylbenzo[g]fluorene-3,9-dicarbonitrile

5-hydroxy-7,7-dimethylbenzo[g]fluorene-3,9-dicarbonitrile (PubChem CID 68530423) has the molecular formula C21H14N2O and a molecular weight of 310.36 g/mol. Its IUPAC name is 5-hydroxy-7,7-dimethylbenzo[g]fluorene-3,9-dicarbonitrile.

Molecular Properties

Compound Name5-hydroxy-7,7-dimethylbenzo[g]fluorene-3,9-dicarbonitrile
PubChem CID68530423
Molecular FormulaC21H14N2O
Molecular Weight310.36 g/mol
Exact Mass310.11
IUPAC Name5-hydroxy-7,7-dimethylbenzo[g]fluorene-3,9-dicarbonitrile
SMILESCC1(C)c2cc(C#N)ccc2-c2c1cc(O)c1cc(C#N)ccc21
InChIInChI=1S/C21H14N2O/c1-21(2)17-8-13(11-23)4-6-15(17)20-14-5-3-12(10-22)7-16(14)19(24)9-18(20)21/h3-9,24H,1-2H3
InChIKeyLPYMYHYXYSGDBQ-UHFFFAOYSA-N
XLogP4.60
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-7,7,9-trimethylbenzo[c]fluoren-5-ol
CID 170123001
7,9,9-trimethylfluorene-2-carbonitrile
CID 129176208
7-[4-[7-(4-cyanophenyl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluorene-2-carbonitrile
CID 170276569
3-bromo-7,7-dimethylbenzo[c]fluoren-5-ol
CID 68526611
9-(dihydroxyamino)-8-hydroxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
CID 134375939
4-[30-(4-isocyano-2-methylphenyl)-5,5,19,19,33,33-hexamethyl-8-nonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaenyl]-3-methylbenzonitrile
CID 140736040
9,9-dimethyl-7-(10-phenanthridin-6-ylanthracen-9-yl)fluorene-2-carbonitrile
CID 90194761
7,7-dimethyl-9-morpholin-4-ylbenzo[c]fluoren-5-ol
CID 67130527
1-(9,9-dimethyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-3,4-dihydro-2H-quinoline-6-carbonitrile
CID 118671922
4-(N-[5-(N-(4-isocyanophenyl)anilino)-7,7-dimethylbenzo[g]fluoren-9-yl]anilino)benzonitrile
CID 140722420
4-[26-(4-isocyanophenyl)-15,15,19,19,23,23-hexamethyl-12-nonacyclo[18.15.0.02,18.04,16.05,14.06,11.022,34.024,33.027,32]pentatriaconta-1(35),2,4(16),5(14),6,8,10,12,17,20,22(34),24(33),25,27,29,31-hexadecaenyl]benzonitrile
CID 140736027
3-[10-[4-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-9-yl]benzonitrile
CID 89026938

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-7,7-dimethylbenzo[g]fluorene-3,9-dicarbonitrile?
The IUPAC name of 5-hydroxy-7,7-dimethylbenzo[g]fluorene-3,9-dicarbonitrile (CID 68530423) is 5-hydroxy-7,7-dimethylbenzo[g]fluorene-3,9-dicarbonitrile.
What is the SMILES notation for 5-hydroxy-7,7-dimethylbenzo[g]fluorene-3,9-dicarbonitrile?
The canonical SMILES for 5-hydroxy-7,7-dimethylbenzo[g]fluorene-3,9-dicarbonitrile is CC1(C)c2cc(C#N)ccc2-c2c1cc(O)c1cc(C#N)ccc21.
What is the InChIKey of 5-hydroxy-7,7-dimethylbenzo[g]fluorene-3,9-dicarbonitrile?
The InChIKey is LPYMYHYXYSGDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O/c1-21(2)17-8-13(11-23)4-6-15(17)20-14-5-3-12(10-22)7-16(14)19(24)9-18(20)21/h3-9,24H,1-2H3.
What are the key properties of 5-hydroxy-7,7-dimethylbenzo[g]fluorene-3,9-dicarbonitrile?
5-hydroxy-7,7-dimethylbenzo[g]fluorene-3,9-dicarbonitrile has a molecular weight of 310.36 g/mol, XLogP of 4.60, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-7,7-dimethylbenzo[g]fluorene-3,9-dicarbonitrile is sourced from PubChem (CID 68530423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).