9-[3-[2-(2,5-dimethylphenyl)-4-methylphenyl]butan-2-yl]-7,7-diethyl-5-methylbenzo[c]fluorene

C41H44 — CID 144613144

IUPAC9-[3-[2-(2,5-dimethylphenyl)-4-methylphenyl]butan-2-yl]-7,7-diethyl-5-methylbenzo[c]fluorene
SMILESCCC1(CC)c2cc(C(C)C(C)c3ccc(C)cc3-c3cc(C)ccc3C)ccc2-c2c1cc(C)c1ccccc21
InChIInChI=1S/C41H44/c1-9-41(10-2)38-24-31(18-20-35(38)40-34-14-12-11-13-32(34)28(6)23-39(40)41)29(7)30(8)33-19-16-26(4)22-37(33)36-21-25(3)15-17-27(36)5/h11-24,29-30H,9-10H2,1-8H3
InChIKeyCXRIBHBPPLLWHB-UHFFFAOYSA-N
MW536.80 g/mol
LogP11.73
Rot. Bonds6

About 9-[3-[2-(2,5-dimethylphenyl)-4-methylphenyl]butan-2-yl]-7,7-diethyl-5-methylbenzo[c]fluorene

9-[3-[2-(2,5-dimethylphenyl)-4-methylphenyl]butan-2-yl]-7,7-diethyl-5-methylbenzo[c]fluorene (PubChem CID 144613144) has the molecular formula C41H44 and a molecular weight of 536.80 g/mol. Its IUPAC name is 9-[3-[2-(2,5-dimethylphenyl)-4-methylphenyl]butan-2-yl]-7,7-diethyl-5-methylbenzo[c]fluorene.

Molecular Properties

Compound Name9-[3-[2-(2,5-dimethylphenyl)-4-methylphenyl]butan-2-yl]-7,7-diethyl-5-methylbenzo[c]fluorene
PubChem CID144613144
Molecular FormulaC41H44
Molecular Weight536.80 g/mol
Exact Mass536.34
IUPAC Name9-[3-[2-(2,5-dimethylphenyl)-4-methylphenyl]butan-2-yl]-7,7-diethyl-5-methylbenzo[c]fluorene
SMILESCCC1(CC)c2cc(C(C)C(C)c3ccc(C)cc3-c3cc(C)ccc3C)ccc2-c2c1cc(C)c1ccccc21
InChIInChI=1S/C41H44/c1-9-41(10-2)38-24-31(18-20-35(38)40-34-14-12-11-13-32(34)28(6)23-39(40)41)29(7)30(8)33-19-16-26(4)22-37(33)36-21-25(3)15-17-27(36)5/h11-24,29-30H,9-10H2,1-8H3
InChIKeyCXRIBHBPPLLWHB-UHFFFAOYSA-N
XLogP11.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.80
LogP ≤ 511.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

7,7-diethyl-9-methyl-5-phenylbenzo[c]fluorene
CID 144614028
5,7,7,9-tetramethylbenzo[c]fluorene
CID 59595492
2-[3-(7,7-diethyl-5-methylbenzo[g]fluoren-9-yl)-5-methylphenyl]pyridine
CID 144613339
7,7-dimethyl-9-[3-[3-methyl-4-[(2Z,4Z)-5-methylocta-2,4-dien-4-yl]phenyl]butan-2-yl]-5-(7,7,9-trimethylbenzo[c]fluoren-5-yl)benzo[c]fluorene
CID 144613482
9,9,18,18,27,27-hexaethyl-6-methylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12,14,16,19,21,23,25-dodecaene
CID 163799471
5,9-dimethylspiro[benzo[c]fluorene-7,3'-cyclohexa-1,4-diene]
CID 59318742
5,7,7-trimethyl-9-[3-[6,7,8-trimethyl-5-[(Z)-prop-1-enyl]-7,8-dihydronaphthalen-2-yl]butan-2-yl]benzo[c]fluorene
CID 144613671
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
7,7-bis(4-hexylphenyl)-5,9-dimethylbenzo[c]fluorene
CID 140661825
9-[9,9-diethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-10-phenylanthracene
CID 20822281
2-(diiodomethyl)-9,9-diethylfluorene
CID 142719764
1,2-diethyl-3-(2-methylphenyl)benzene;1-(2-methylphenyl)-2,3-di(propan-2-yl)benzene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene;1,3-xylene
CID 144613457

Frequently Asked Questions

What is the IUPAC name of 9-[3-[2-(2,5-dimethylphenyl)-4-methylphenyl]butan-2-yl]-7,7-diethyl-5-methylbenzo[c]fluorene?
The IUPAC name of 9-[3-[2-(2,5-dimethylphenyl)-4-methylphenyl]butan-2-yl]-7,7-diethyl-5-methylbenzo[c]fluorene (CID 144613144) is 9-[3-[2-(2,5-dimethylphenyl)-4-methylphenyl]butan-2-yl]-7,7-diethyl-5-methylbenzo[c]fluorene.
What is the SMILES notation for 9-[3-[2-(2,5-dimethylphenyl)-4-methylphenyl]butan-2-yl]-7,7-diethyl-5-methylbenzo[c]fluorene?
The canonical SMILES for 9-[3-[2-(2,5-dimethylphenyl)-4-methylphenyl]butan-2-yl]-7,7-diethyl-5-methylbenzo[c]fluorene is CCC1(CC)c2cc(C(C)C(C)c3ccc(C)cc3-c3cc(C)ccc3C)ccc2-c2c1cc(C)c1ccccc21.
What is the InChIKey of 9-[3-[2-(2,5-dimethylphenyl)-4-methylphenyl]butan-2-yl]-7,7-diethyl-5-methylbenzo[c]fluorene?
The InChIKey is CXRIBHBPPLLWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H44/c1-9-41(10-2)38-24-31(18-20-35(38)40-34-14-12-11-13-32(34)28(6)23-39(40)41)29(7)30(8)33-19-16-26(4)22-37(33)36-21-25(3)15-17-27(36)5/h11-24,29-30H,9-10H2,1-8H3.
What are the key properties of 9-[3-[2-(2,5-dimethylphenyl)-4-methylphenyl]butan-2-yl]-7,7-diethyl-5-methylbenzo[c]fluorene?
9-[3-[2-(2,5-dimethylphenyl)-4-methylphenyl]butan-2-yl]-7,7-diethyl-5-methylbenzo[c]fluorene has a molecular weight of 536.80 g/mol, XLogP of 11.73, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[2-(2,5-dimethylphenyl)-4-methylphenyl]butan-2-yl]-7,7-diethyl-5-methylbenzo[c]fluorene is sourced from PubChem (CID 144613144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).