7,7-dihexylbenzo[c]fluorene-5,9-diol

C29H36O2 — CID 20754166

IUPAC7,7-dihexylbenzo[c]fluorene-5,9-diol
SMILESCCCCCCC1(CCCCCC)c2cc(O)ccc2-c2c1cc(O)c1ccccc21
InChIInChI=1S/C29H36O2/c1-3-5-7-11-17-29(18-12-8-6-4-2)25-19-21(30)15-16-24(25)28-23-14-10-9-13-22(23)27(31)20-26(28)29/h9-10,13-16,19-20,30-31H,3-8,11-12,17-18H2,1-2H3
InChIKeyXKFHVGAZJBHZAZ-UHFFFAOYSA-N
MW416.61 g/mol
LogP8.46
Rot. Bonds10

About 7,7-dihexylbenzo[c]fluorene-5,9-diol

7,7-dihexylbenzo[c]fluorene-5,9-diol (PubChem CID 20754166) has the molecular formula C29H36O2 and a molecular weight of 416.61 g/mol. Its IUPAC name is 7,7-dihexylbenzo[c]fluorene-5,9-diol.

Molecular Properties

Compound Name7,7-dihexylbenzo[c]fluorene-5,9-diol
PubChem CID20754166
Molecular FormulaC29H36O2
Molecular Weight416.61 g/mol
Exact Mass416.27
IUPAC Name7,7-dihexylbenzo[c]fluorene-5,9-diol
SMILESCCCCCCC1(CCCCCC)c2cc(O)ccc2-c2c1cc(O)c1ccccc21
InChIInChI=1S/C29H36O2/c1-3-5-7-11-17-29(18-12-8-6-4-2)25-19-21(30)15-16-24(25)28-23-14-10-9-13-22(23)27(31)20-26(28)29/h9-10,13-16,19-20,30-31H,3-8,11-12,17-18H2,1-2H3
InChIKeyXKFHVGAZJBHZAZ-UHFFFAOYSA-N
XLogP8.46
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.61
LogP ≤ 58.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(9-borono-7,7-dioctylbenzo[c]fluoren-5-yl)boronic acid
CID 59391317
9-(9,9-dioctylfluoren-2-yl)-10-(9-heptyl-9-octylfluoren-2-yl)anthracene
CID 142821206
4-[7-(9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenol
CID 102433649
4-[4-[7-(9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenyl]phenol
CID 102433647
11,11-dioctylbenzo[a]fluorene-3,9-diol
CID 86055969
8,30-dibromo-19,19-dimethyl-5,5,33,33-tetraoctylnonacyclo[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-hexadecaene
CID 122519503
8,30-bis[4-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]-5,5,33,33-tetramethyl-19,19-dioctylnonacyclo[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-hexadecaene
CID 156624199
7,7-dioctylbenzo[c]fluorene
CID 59595496
carbanide;1-(9,9-dihexylfluoren-2-yl)naphthalen-2-ol;titanium(3+)
CID 59270127
(31-borono-5-hex-5-enyl-5,34-dihexyl-19,19,20,20-tetramethyl-34-pentyl-8-nonacyclo[19.15.0.02,18.04,16.06,15.09,14.023,35.024,33.025,30]hexatriaconta-1(36),2,4(16),6(15),7,9,11,13,17,21,23(35),24(33),25,27,29,31-hexadecaenyl)boronic acid
CID 123958035
ethyl-(9-methyl-7,7-dioctylbenzo[c]fluoren-5-yl)-(2,2,3,3-tetramethylbutyl)borane
CID 143650471
[4-[10-[4-(9,9-dihexylfluorene-2-carbonyl)phenyl]anthracen-9-yl]phenyl]-(9,9-dihexylfluoren-2-yl)methanone
CID 102418466

Frequently Asked Questions

What is the IUPAC name of 7,7-dihexylbenzo[c]fluorene-5,9-diol?
The IUPAC name of 7,7-dihexylbenzo[c]fluorene-5,9-diol (CID 20754166) is 7,7-dihexylbenzo[c]fluorene-5,9-diol.
What is the SMILES notation for 7,7-dihexylbenzo[c]fluorene-5,9-diol?
The canonical SMILES for 7,7-dihexylbenzo[c]fluorene-5,9-diol is CCCCCCC1(CCCCCC)c2cc(O)ccc2-c2c1cc(O)c1ccccc21.
What is the InChIKey of 7,7-dihexylbenzo[c]fluorene-5,9-diol?
The InChIKey is XKFHVGAZJBHZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36O2/c1-3-5-7-11-17-29(18-12-8-6-4-2)25-19-21(30)15-16-24(25)28-23-14-10-9-13-22(23)27(31)20-26(28)29/h9-10,13-16,19-20,30-31H,3-8,11-12,17-18H2,1-2H3.
What are the key properties of 7,7-dihexylbenzo[c]fluorene-5,9-diol?
7,7-dihexylbenzo[c]fluorene-5,9-diol has a molecular weight of 416.61 g/mol, XLogP of 8.46, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dihexylbenzo[c]fluorene-5,9-diol is sourced from PubChem (CID 20754166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).