7,7-bis(2-ethylhexyl)-5,9-dimethylbenzo[c]fluorene;7,7-dihexyl-5,9-dimethylbenzo[c]fluorene;5,9-dimethyl-7,7-bis(3-methylbutyl)benzo[c]fluorene;5,9-dimethyl-7,7-dioctylbenzo[c]fluorene;5,9-dimethyl-7,7-diphenylbenzo[c]fluorene

C161H196 — CID 158033526

IUPAC7,7-bis(2-ethylhexyl)-5,9-dimethylbenzo[c]fluorene;7,7-dihexyl-5,9-dimethylbenzo[c]fluorene;5,9-dimethyl-7,7-bis(3-methylbutyl)benzo[c]fluorene;5,9-dimethyl-7,7-dioctylbenzo[c]fluorene;5,9-dimethyl-7,7-diphenylbenzo[c]fluorene
SMILESCCCCC(CC)CC1(CC(CC)CCCC)c2cc(C)ccc2-c2c1cc(C)c1ccccc21.CCCCCCC1(CCCCCC)c2cc(C)ccc2-c2c1cc(C)c1ccccc21.CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2c1cc(C)c1ccccc21.Cc1ccc2c(c1)C(CCC(C)C)(CCC(C)C)c1cc(C)c3ccccc3c1-2.Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(C)c3ccccc3c1-2
InChIInChI=1S/2C35H48.C31H24.C31H40.C29H36/c1-7-11-15-27(9-3)23-35(24-28(10-4)16-12-8-2)32-21-25(5)19-20-31(32)34-30-18-14-13-17-29(30)26(6)22-33(34)35;1-5-7-9-11-13-17-23-35(24-18-14-12-10-8-6-2)32-25-27(3)21-22-31(32)34-30-20-16-15-19-29(30)28(4)26-33(34)35;1-21-17-18-27-28(19-21)31(23-11-5-3-6-12-23,24-13-7-4-8-14-24)29-20-22(2)25-15-9-10-16-26(25)30(27)29;1-5-7-9-13-19-31(20-14-10-8-6-2)28-21-23(3)17-18-27(28)30-26-16-12-11-15-25(26)24(4)22-29(30)31;1-19(2)13-15-29(16-14-20(3)4)26-17-21(5)11-12-25(26)28-24-10-8-7-9-23(24)22(6)18-27(28)29/h13-14,17-22,27-28H,7-12,15-16,23-24H2,1-6H3;15-16,19-22,25-26H,5-14,17-18,23-24H2,1-4H3;3-20H,1-2H3;11-12,15-18,21-22H,5-10,13-14,19-20H2,1-4H3;7-12,17-20H,13-16H2,1-6H3
InChIKeyFHLVTKYQPAFVNR-UHFFFAOYSA-N
MW2131.34 g/mol
LogP48.24
Rot. Bonds44

About 7,7-bis(2-ethylhexyl)-5,9-dimethylbenzo[c]fluorene;7,7-dihexyl-5,9-dimethylbenzo[c]fluorene;5,9-dimethyl-7,7-bis(3-methylbutyl)benzo[c]fluorene;5,9-dimethyl-7,7-dioctylbenzo[c]fluorene;5,9-dimethyl-7,7-diphenylbenzo[c]fluorene

7,7-bis(2-ethylhexyl)-5,9-dimethylbenzo[c]fluorene;7,7-dihexyl-5,9-dimethylbenzo[c]fluorene;5,9-dimethyl-7,7-bis(3-methylbutyl)benzo[c]fluorene;5,9-dimethyl-7,7-dioctylbenzo[c]fluorene;5,9-dimethyl-7,7-diphenylbenzo[c]fluorene (PubChem CID 158033526) has the molecular formula C161H196 and a molecular weight of 2131.34 g/mol. Its IUPAC name is 7,7-bis(2-ethylhexyl)-5,9-dimethylbenzo[c]fluorene;7,7-dihexyl-5,9-dimethylbenzo[c]fluorene;5,9-dimethyl-7,7-bis(3-methylbutyl)benzo[c]fluorene;5,9-dimethyl-7,7-dioctylbenzo[c]fluorene;5,9-dimethyl-7,7-diphenylbenzo[c]fluorene.

Molecular Properties

Compound Name7,7-bis(2-ethylhexyl)-5,9-dimethylbenzo[c]fluorene;7,7-dihexyl-5,9-dimethylbenzo[c]fluorene;5,9-dimethyl-7,7-bis(3-methylbutyl)benzo[c]fluorene;5,9-dimethyl-7,7-dioctylbenzo[c]fluorene;5,9-dimethyl-7,7-diphenylbenzo[c]fluorene
PubChem CID158033526
Molecular FormulaC161H196
Molecular Weight2131.34 g/mol
Exact Mass2129.53
IUPAC Name7,7-bis(2-ethylhexyl)-5,9-dimethylbenzo[c]fluorene;7,7-dihexyl-5,9-dimethylbenzo[c]fluorene;5,9-dimethyl-7,7-bis(3-methylbutyl)benzo[c]fluorene;5,9-dimethyl-7,7-dioctylbenzo[c]fluorene;5,9-dimethyl-7,7-diphenylbenzo[c]fluorene
SMILESCCCCC(CC)CC1(CC(CC)CCCC)c2cc(C)ccc2-c2c1cc(C)c1ccccc21.CCCCCCC1(CCCCCC)c2cc(C)ccc2-c2c1cc(C)c1ccccc21.CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2c1cc(C)c1ccccc21.Cc1ccc2c(c1)C(CCC(C)C)(CCC(C)C)c1cc(C)c3ccccc3c1-2.Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(C)c3ccccc3c1-2
InChIInChI=1S/2C35H48.C31H24.C31H40.C29H36/c1-7-11-15-27(9-3)23-35(24-28(10-4)16-12-8-2)32-21-25(5)19-20-31(32)34-30-18-14-13-17-29(30)26(6)22-33(34)35;1-5-7-9-11-13-17-23-35(24-18-14-12-10-8-6-2)32-25-27(3)21-22-31(32)34-30-20-16-15-19-29(30)28(4)26-33(34)35;1-21-17-18-27-28(19-21)31(23-11-5-3-6-12-23,24-13-7-4-8-14-24)29-20-22(2)25-15-9-10-16-26(25)30(27)29;1-5-7-9-13-19-31(20-14-10-8-6-2)28-21-23(3)17-18-27(28)30-26-16-12-11-15-25(26)24(4)22-29(30)31;1-19(2)13-15-29(16-14-20(3)4)26-17-21(5)11-12-25(26)28-24-10-8-7-9-23(24)22(6)18-27(28)29/h13-14,17-22,27-28H,7-12,15-16,23-24H2,1-6H3;15-16,19-22,25-26H,5-14,17-18,23-24H2,1-4H3;3-20H,1-2H3;11-12,15-18,21-22H,5-10,13-14,19-20H2,1-4H3;7-12,17-20H,13-16H2,1-6H3
InChIKeyFHLVTKYQPAFVNR-UHFFFAOYSA-N
XLogP48.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds44
Heavy Atoms161
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002131.34
LogP ≤ 548.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 7,7-bis(2-ethylhexyl)-5,9-dimethylbenzo[c]fluorene;7,7-dihexyl-5,9-dimethylbenzo[c]fluorene;5,9-dimethyl-7,7-bis(3-methylbutyl)benzo[c]fluorene;5,9-dimethyl-7,7-dioctylbenzo[c]fluorene;5,9-dimethyl-7,7-diphenylbenzo[c]fluorene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7,7-bis(4-hexylphenyl)-5,9-dimethylbenzo[c]fluorene
CID 140661825
2,3-bis(ethenyl)-1-(2-ethylhexyl)-6-methyl-1-(2-methylpropyl)indene
CID 91429357
5-bromo-9-methyl-7,7-diphenylbenzo[c]fluorene
CID 142714191
2-(7,7-dihexyl-5-methylbenzo[g]fluoren-9-yl)-5-(5-methylthiophen-2-yl)thiophene;2-(9,9-dihexyl-7-methylfluoren-2-yl)-5-(5-methylthiophen-2-yl)thiophene;3-hexyl-2-(4-hexyl-5-methylthiophen-2-yl)-5-(7-methyl-9,9-diphenylfluoren-2-yl)thiophene;6-hexyl-3-methyl-8-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-6-pentylbenzo[c]chromene;2-methyl-5-[5-[5-(7-methyl-9,9-dioctylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene
CID 160815399
2,7-dimethyl-9,9-dioctylfluorene;9,9-dioctylfluorene
CID 162081308
ethyl-(9-methyl-7,7-dioctylbenzo[c]fluoren-5-yl)-(2,2,3,3-tetramethylbutyl)borane
CID 143650471
7,7-dihexoxy-3,9-dimethylbenzo[a]phenalene;3,9-dimethyl-7,7-bis(3-methylbutyl)benzo[a]phenalene;3,9-dimethyl-7,7-di(nonyl)benzo[a]phenalene
CID 158753753
9-(2-ethylhexyl)-9-(3-hexylphenyl)-2,7-dimethylfluorene
CID 140661828
9,9-bis(3-hexylphenyl)-2,7-dimethylfluorene;9,9-bis(4-hexylphenyl)-2,7-dimethylfluorene;2,7-dimethyl-9,9-dioctylfluorene
CID 158736272
8,30-bis[4-[4-[7-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,5-dimethylphenyl]phenyl]-19-heptyl-5,5,33,33-tetramethyl-19-octylnonacyclo[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 168838191
2-[9,9-bis(2-ethylhexyl)-7-methylfluoren-2-yl]-7-methylfluoren-9-one
CID 20751967
9-[9,9-bis(2-ethylhexyl)fluoren-2-yl]anthracene
CID 101402218

Frequently Asked Questions

What is the IUPAC name of 7,7-bis(2-ethylhexyl)-5,9-dimethylbenzo[c]fluorene;7,7-dihexyl-5,9-dimethylbenzo[c]fluorene;5,9-dimethyl-7,7-bis(3-methylbutyl)benzo[c]fluorene;5,9-dimethyl-7,7-dioctylbenzo[c]fluorene;5,9-dimethyl-7,7-diphenylbenzo[c]fluorene?
The IUPAC name of 7,7-bis(2-ethylhexyl)-5,9-dimethylbenzo[c]fluorene;7,7-dihexyl-5,9-dimethylbenzo[c]fluorene;5,9-dimethyl-7,7-bis(3-methylbutyl)benzo[c]fluorene;5,9-dimethyl-7,7-dioctylbenzo[c]fluorene;5,9-dimethyl-7,7-diphenylbenzo[c]fluorene (CID 158033526) is 7,7-bis(2-ethylhexyl)-5,9-dimethylbenzo[c]fluorene;7,7-dihexyl-5,9-dimethylbenzo[c]fluorene;5,9-dimethyl-7,7-bis(3-methylbutyl)benzo[c]fluorene;5,9-dimethyl-7,7-dioctylbenzo[c]fluorene;5,9-dimethyl-7,7-diphenylbenzo[c]fluorene.
What is the SMILES notation for 7,7-bis(2-ethylhexyl)-5,9-dimethylbenzo[c]fluorene;7,7-dihexyl-5,9-dimethylbenzo[c]fluorene;5,9-dimethyl-7,7-bis(3-methylbutyl)benzo[c]fluorene;5,9-dimethyl-7,7-dioctylbenzo[c]fluorene;5,9-dimethyl-7,7-diphenylbenzo[c]fluorene?
The canonical SMILES for 7,7-bis(2-ethylhexyl)-5,9-dimethylbenzo[c]fluorene;7,7-dihexyl-5,9-dimethylbenzo[c]fluorene;5,9-dimethyl-7,7-bis(3-methylbutyl)benzo[c]fluorene;5,9-dimethyl-7,7-dioctylbenzo[c]fluorene;5,9-dimethyl-7,7-diphenylbenzo[c]fluorene is CCCCC(CC)CC1(CC(CC)CCCC)c2cc(C)ccc2-c2c1cc(C)c1ccccc21.CCCCCCC1(CCCCCC)c2cc(C)ccc2-c2c1cc(C)c1ccccc21.CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2c1cc(C)c1ccccc21.Cc1ccc2c(c1)C(CCC(C)C)(CCC(C)C)c1cc(C)c3ccccc3c1-2.Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(C)c3ccccc3c1-2.
What is the InChIKey of 7,7-bis(2-ethylhexyl)-5,9-dimethylbenzo[c]fluorene;7,7-dihexyl-5,9-dimethylbenzo[c]fluorene;5,9-dimethyl-7,7-bis(3-methylbutyl)benzo[c]fluorene;5,9-dimethyl-7,7-dioctylbenzo[c]fluorene;5,9-dimethyl-7,7-diphenylbenzo[c]fluorene?
The InChIKey is FHLVTKYQPAFVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C35H48.C31H24.C31H40.C29H36/c1-7-11-15-27(9-3)23-35(24-28(10-4)16-12-8-2)32-21-25(5)19-20-31(32)34-30-18-14-13-17-29(30)26(6)22-33(34)35;1-5-7-9-11-13-17-23-35(24-18-14-12-10-8-6-2)32-25-27(3)21-22-31(32)34-30-20-16-15-19-29(30)28(4)26-33(34)35;1-21-17-18-27-28(19-21)31(23-11-5-3-6-12-23,24-13-7-4-8-14-24)29-20-22(2)25-15-9-10-16-26(25)30(27)29;1-5-7-9-13-19-31(20-14-10-8-6-2)28-21-23(3)17-18-27(28)30-26-16-12-11-15-25(26)24(4)22-29(30)31;1-19(2)13-15-29(16-14-20(3)4)26-17-21(5)11-12-25(26)28-24-10-8-7-9-23(24)22(6)18-27(28)29/h13-14,17-22,27-28H,7-12,15-16,23-24H2,1-6H3;15-16,19-22,25-26H,5-14,17-18,23-24H2,1-4H3;3-20H,1-2H3;11-12,15-18,21-22H,5-10,13-14,19-20H2,1-4H3;7-12,17-20H,13-16H2,1-6H3.
What are the key properties of 7,7-bis(2-ethylhexyl)-5,9-dimethylbenzo[c]fluorene;7,7-dihexyl-5,9-dimethylbenzo[c]fluorene;5,9-dimethyl-7,7-bis(3-methylbutyl)benzo[c]fluorene;5,9-dimethyl-7,7-dioctylbenzo[c]fluorene;5,9-dimethyl-7,7-diphenylbenzo[c]fluorene?
7,7-bis(2-ethylhexyl)-5,9-dimethylbenzo[c]fluorene;7,7-dihexyl-5,9-dimethylbenzo[c]fluorene;5,9-dimethyl-7,7-bis(3-methylbutyl)benzo[c]fluorene;5,9-dimethyl-7,7-dioctylbenzo[c]fluorene;5,9-dimethyl-7,7-diphenylbenzo[c]fluorene has a molecular weight of 2131.34 g/mol, XLogP of 48.24, 44 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-bis(2-ethylhexyl)-5,9-dimethylbenzo[c]fluorene;7,7-dihexyl-5,9-dimethylbenzo[c]fluorene;5,9-dimethyl-7,7-bis(3-methylbutyl)benzo[c]fluorene;5,9-dimethyl-7,7-dioctylbenzo[c]fluorene;5,9-dimethyl-7,7-diphenylbenzo[c]fluorene is sourced from PubChem (CID 158033526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).