ethane;5-[[4-(2-ethenyl-3-methylcyclohexa-1,5-dien-1-yl)-3-methylphenyl]methyl]-7,7-dimethyl-9-[(3-methylphenyl)methyl]benzo[c]fluorene;2-methylnaphthalene;toluene

C64H66 — CID 144614426

IUPACethane;5-[[4-(2-ethenyl-3-methylcyclohexa-1,5-dien-1-yl)-3-methylphenyl]methyl]-7,7-dimethyl-9-[(3-methylphenyl)methyl]benzo[c]fluorene;2-methylnaphthalene;toluene
SMILESC=CC1=C(c2ccc(Cc3cc4c(c5ccccc35)-c3ccc(Cc5cccc(C)c5)cc3C4(C)C)cc2C)C=CCC1C.CC.Cc1ccc2ccccc2c1.Cc1ccccc1
InChIInChI=1S/C44H42.C11H10.C7H8.C2H6/c1-7-35-29(3)13-11-17-38(35)36-20-18-32(23-30(36)4)25-34-27-42-43(39-16-9-8-15-37(34)39)40-21-19-33(26-41(40)44(42,5)6)24-31-14-10-12-28(2)22-31;1-9-6-7-10-4-2-3-5-11(10)8-9;1-7-5-3-2-4-6-7;1-2/h7-12,14-23,26-27,29H,1,13,24-25H2,2-6H3;2-8H,1H3;2-6H,1H3;1-2H3
InChIKeyYZLHKTDYSRYQNF-UHFFFAOYSA-N
MW835.23 g/mol
LogP17.65
Rot. Bonds6

About ethane;5-[[4-(2-ethenyl-3-methylcyclohexa-1,5-dien-1-yl)-3-methylphenyl]methyl]-7,7-dimethyl-9-[(3-methylphenyl)methyl]benzo[c]fluorene;2-methylnaphthalene;toluene

ethane;5-[[4-(2-ethenyl-3-methylcyclohexa-1,5-dien-1-yl)-3-methylphenyl]methyl]-7,7-dimethyl-9-[(3-methylphenyl)methyl]benzo[c]fluorene;2-methylnaphthalene;toluene (PubChem CID 144614426) has the molecular formula C64H66 and a molecular weight of 835.23 g/mol. Its IUPAC name is ethane;5-[[4-(2-ethenyl-3-methylcyclohexa-1,5-dien-1-yl)-3-methylphenyl]methyl]-7,7-dimethyl-9-[(3-methylphenyl)methyl]benzo[c]fluorene;2-methylnaphthalene;toluene.

Molecular Properties

Compound Nameethane;5-[[4-(2-ethenyl-3-methylcyclohexa-1,5-dien-1-yl)-3-methylphenyl]methyl]-7,7-dimethyl-9-[(3-methylphenyl)methyl]benzo[c]fluorene;2-methylnaphthalene;toluene
PubChem CID144614426
Molecular FormulaC64H66
Molecular Weight835.23 g/mol
Exact Mass834.52
IUPAC Nameethane;5-[[4-(2-ethenyl-3-methylcyclohexa-1,5-dien-1-yl)-3-methylphenyl]methyl]-7,7-dimethyl-9-[(3-methylphenyl)methyl]benzo[c]fluorene;2-methylnaphthalene;toluene
SMILESC=CC1=C(c2ccc(Cc3cc4c(c5ccccc35)-c3ccc(Cc5cccc(C)c5)cc3C4(C)C)cc2C)C=CCC1C.CC.Cc1ccc2ccccc2c1.Cc1ccccc1
InChIInChI=1S/C44H42.C11H10.C7H8.C2H6/c1-7-35-29(3)13-11-17-38(35)36-20-18-32(23-30(36)4)25-34-27-42-43(39-16-9-8-15-37(34)39)40-21-19-33(26-41(40)44(42,5)6)24-31-14-10-12-28(2)22-31;1-9-6-7-10-4-2-3-5-11(10)8-9;1-7-5-3-2-4-6-7;1-2/h7-12,14-23,26-27,29H,1,13,24-25H2,2-6H3;2-8H,1H3;2-6H,1H3;1-2H3
InChIKeyYZLHKTDYSRYQNF-UHFFFAOYSA-N
XLogP17.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500835.23
LogP ≤ 517.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze ethane;5-[[4-(2-ethenyl-3-methylcyclohexa-1,5-dien-1-yl)-3-methylphenyl]methyl]-7,7-dimethyl-9-[(3-methylphenyl)methyl]benzo[c]fluorene;2-methylnaphthalene;toluene with MolForge

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Related Compounds

19-benzyl-12,12,22,22-tetramethyl-N,N-diphenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-9-amine;toluene
CID 143607942
(6Z,8E)-8-ethylidene-10-[(3-methylphenyl)methyl]tricyclo[7.4.0.02,4]trideca-1(13),6,9,11-tetraene;5-[(3-methylphenyl)methyl]-2,6,7,9-tetrahydro-1H-fluorene;7,7,9-trimethylbenzo[c]fluorene
CID 144614415
1-methyl-4-phenylbenzene;12,12,15,15-tetramethyl-N,N-bis(4-phenylphenyl)-18-[(4-phenylphenyl)methyl]hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaen-9-amine
CID 143607859
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
1,2-dimethyl-3-(2-methylphenyl)benzene;ethane;1-methyl-9H-fluorene;1-methyl-4-[(4-methylphenyl)methyl]benzene;5,7,7,9-tetramethylbenzo[c]fluorene
CID 144613590
5,7,7,9-tetramethylbenzo[c]fluorene
CID 59595492
9,9-dimethylfluorene;1-methylnaphthalene;2-methylnaphthalene;9-methyl-9-phenylfluorene;2-methyl-9,9'-spirobi[fluorene];toluene
CID 161053096
2,3-bis(ethenyl)-5-methyl-1-benzofuran;1-ethyl-2-(2-methylphenyl)benzene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene
CID 144613327
1-(naphthalen-1-ylmethyl)naphthalene;12,12,19,22,22-pentamethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene
CID 143607892
1-ethyldibenzofuran;2-methylnaphthalene;4-propan-2-ylbenzonitrile;5,7,7,9-tetramethylbenzo[c]fluorene;toluene
CID 144613063
9-(9,9-dimethylfluoren-2-yl)-10-(2,4-dimethylphenyl)-2-naphthalen-2-ylanthracene
CID 59195935
hexakis(9,9-dimethylfluorene);ethylbenzene;bis(1-ethylnaphthalene);2-ethylnaphthalene;methanol;2-methylnaphthalene;naphthalene
CID 162050145

Frequently Asked Questions

What is the IUPAC name of ethane;5-[[4-(2-ethenyl-3-methylcyclohexa-1,5-dien-1-yl)-3-methylphenyl]methyl]-7,7-dimethyl-9-[(3-methylphenyl)methyl]benzo[c]fluorene;2-methylnaphthalene;toluene?
The IUPAC name of ethane;5-[[4-(2-ethenyl-3-methylcyclohexa-1,5-dien-1-yl)-3-methylphenyl]methyl]-7,7-dimethyl-9-[(3-methylphenyl)methyl]benzo[c]fluorene;2-methylnaphthalene;toluene (CID 144614426) is ethane;5-[[4-(2-ethenyl-3-methylcyclohexa-1,5-dien-1-yl)-3-methylphenyl]methyl]-7,7-dimethyl-9-[(3-methylphenyl)methyl]benzo[c]fluorene;2-methylnaphthalene;toluene.
What is the SMILES notation for ethane;5-[[4-(2-ethenyl-3-methylcyclohexa-1,5-dien-1-yl)-3-methylphenyl]methyl]-7,7-dimethyl-9-[(3-methylphenyl)methyl]benzo[c]fluorene;2-methylnaphthalene;toluene?
The canonical SMILES for ethane;5-[[4-(2-ethenyl-3-methylcyclohexa-1,5-dien-1-yl)-3-methylphenyl]methyl]-7,7-dimethyl-9-[(3-methylphenyl)methyl]benzo[c]fluorene;2-methylnaphthalene;toluene is C=CC1=C(c2ccc(Cc3cc4c(c5ccccc35)-c3ccc(Cc5cccc(C)c5)cc3C4(C)C)cc2C)C=CCC1C.CC.Cc1ccc2ccccc2c1.Cc1ccccc1.
What is the InChIKey of ethane;5-[[4-(2-ethenyl-3-methylcyclohexa-1,5-dien-1-yl)-3-methylphenyl]methyl]-7,7-dimethyl-9-[(3-methylphenyl)methyl]benzo[c]fluorene;2-methylnaphthalene;toluene?
The InChIKey is YZLHKTDYSRYQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H42.C11H10.C7H8.C2H6/c1-7-35-29(3)13-11-17-38(35)36-20-18-32(23-30(36)4)25-34-27-42-43(39-16-9-8-15-37(34)39)40-21-19-33(26-41(40)44(42,5)6)24-31-14-10-12-28(2)22-31;1-9-6-7-10-4-2-3-5-11(10)8-9;1-7-5-3-2-4-6-7;1-2/h7-12,14-23,26-27,29H,1,13,24-25H2,2-6H3;2-8H,1H3;2-6H,1H3;1-2H3.
What are the key properties of ethane;5-[[4-(2-ethenyl-3-methylcyclohexa-1,5-dien-1-yl)-3-methylphenyl]methyl]-7,7-dimethyl-9-[(3-methylphenyl)methyl]benzo[c]fluorene;2-methylnaphthalene;toluene?
ethane;5-[[4-(2-ethenyl-3-methylcyclohexa-1,5-dien-1-yl)-3-methylphenyl]methyl]-7,7-dimethyl-9-[(3-methylphenyl)methyl]benzo[c]fluorene;2-methylnaphthalene;toluene has a molecular weight of 835.23 g/mol, XLogP of 17.65, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-[[4-(2-ethenyl-3-methylcyclohexa-1,5-dien-1-yl)-3-methylphenyl]methyl]-7,7-dimethyl-9-[(3-methylphenyl)methyl]benzo[c]fluorene;2-methylnaphthalene;toluene is sourced from PubChem (CID 144614426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).