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

C59H60 — CID 144613482

IUPAC7,7-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
SMILESC/C=C\C(=C(/C)CCC)c1ccc(C(C)C(C)c2ccc3c(c2)C(C)(C)c2cc(-c4cc5c(c6ccccc46)-c4ccc(C)cc4C5(C)C)c4ccccc4c2-3)cc1C
InChIInChI=1S/C59H60/c1-12-18-36(4)42(19-13-2)43-28-25-40(31-37(43)5)38(6)39(7)41-26-29-49-53(32-41)59(10,11)55-34-51(45-21-15-17-23-47(45)57(49)55)50-33-54-56(46-22-16-14-20-44(46)50)48-27-24-35(3)30-52(48)58(54,8)9/h13-17,19-34,38-39H,12,18H2,1-11H3/b19-13-,42-36-
InChIKeyMKEYDDFOMKRYRN-LRLZDPNOSA-N
MW769.13 g/mol
LogP16.95
Rot. Bonds8

About 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

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 (PubChem CID 144613482) has the molecular formula C59H60 and a molecular weight of 769.13 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7,7-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
PubChem CID144613482
Molecular FormulaC59H60
Molecular Weight769.13 g/mol
Exact Mass768.47
IUPAC Name7,7-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
SMILESC/C=C\C(=C(/C)CCC)c1ccc(C(C)C(C)c2ccc3c(c2)C(C)(C)c2cc(-c4cc5c(c6ccccc46)-c4ccc(C)cc4C5(C)C)c4ccccc4c2-3)cc1C
InChIInChI=1S/C59H60/c1-12-18-36(4)42(19-13-2)43-28-25-40(31-37(43)5)38(6)39(7)41-26-29-49-53(32-41)59(10,11)55-34-51(45-21-15-17-23-47(45)57(49)55)50-33-54-56(46-22-16-14-20-44(46)50)48-27-24-35(3)30-52(48)58(54,8)9/h13-17,19-34,38-39H,12,18H2,1-11H3/b19-13-,42-36-
InChIKeyMKEYDDFOMKRYRN-LRLZDPNOSA-N
XLogP16.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.13
LogP ≤ 516.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

5-[[4-(2,5-dimethylcyclohepta-1,6-dien-1-yl)-3-methylphenyl]methyl]-7,7-dimethyl-9-[3-[3-methyl-4-[(3Z,5Z)-3-methylhepta-3,5-dien-1-yn-4-yl]phenyl]butan-2-yl]benzo[c]fluorene;1-methylnaphthalene;propane;1,2-xylene
CID 144614399
5,7,7,9-tetramethylbenzo[c]fluorene
CID 59595492
5-(3,5-dimethylphenyl)-7,7,9-trimethylbenzo[c]fluorene;ethane;2-methyl-1-(2-methylphenyl)-4-propan-2-ylbenzene;toluene
CID 144614242
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
9-[3-[2-(2,5-dimethylphenyl)-4-methylphenyl]butan-2-yl]-7,7-diethyl-5-methylbenzo[c]fluorene
CID 144613144
5-cyclohexa-1,5-dien-1-yl-7,7,9-trimethylbenzo[c]fluorene
CID 144663219
N-[3-(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)pentan-3-yl]-2,4-dimethylaniline
CID 123296863
7,7,9-trimethyl-N-[3-methyl-4-[(2Z,4Z)-6-methylhepta-2,4,6-trienyl]phenyl]-N-phenylbenzo[c]fluoren-5-amine
CID 144613777
(3-ethylphenyl)-methylphosphane;1-methyl-3-phenylbenzene;2-propan-2-yldibenzofuran;5,7,7,9-tetramethylbenzo[c]fluorene;1,3,5-trimethylbenzene
CID 144613287
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
9-[1-[2-cyclopropyl-3-[(3E,5Z)-3-methylhepta-1,3,5-trien-4-yl]phenyl]-1-phenylpropan-2-yl]-5,7,7-trimethyl-3,4-dihydrobenzo[c]fluorene
CID 144614091
1-ethyldibenzofuran;2-methylnaphthalene;4-propan-2-ylbenzonitrile;5,7,7,9-tetramethylbenzo[c]fluorene;toluene
CID 144613063

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C/C=C\C(=C(/C)CCC)c1ccc(C(C)C(C)c2ccc3c(c2)C(C)(C)c2cc(-c4cc5c(c6ccccc46)-c4ccc(C)cc4C5(C)C)c4ccccc4c2-3)cc1C.
What is the InChIKey of 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?
The InChIKey is MKEYDDFOMKRYRN-LRLZDPNOSA-N. The full InChI is InChI=1S/C59H60/c1-12-18-36(4)42(19-13-2)43-28-25-40(31-37(43)5)38(6)39(7)41-26-29-49-53(32-41)59(10,11)55-34-51(45-21-15-17-23-47(45)57(49)55)50-33-54-56(46-22-16-14-20-44(46)50)48-27-24-35(3)30-52(48)58(54,8)9/h13-17,19-34,38-39H,12,18H2,1-11H3/b19-13-,42-36-.
What are the key properties of 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?
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 has a molecular weight of 769.13 g/mol, XLogP of 16.95, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 144613482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).