1,4-dimethyl-2-(2-methyl-5-phenylphenyl)benzene;3-methyl-3,9-dihydro-2H-fluorene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene

C63H62 — CID 144613972

IUPAC1,4-dimethyl-2-(2-methyl-5-phenylphenyl)benzene;3-methyl-3,9-dihydro-2H-fluorene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene
SMILESCC1C=C2C(=CC1)Cc1ccccc12.Cc1ccc(C)c(-c2cc(-c3ccccc3)ccc2C)c1.Cc1ccc2c(c1)C(C)(C)c1cc(C)c3ccccc3c1-2.Cc1ccccc1
InChIInChI=1S/2C21H20.C14H14.C7H8/c1-13-9-10-17-18(11-13)21(3,4)19-12-14(2)15-7-5-6-8-16(15)20(17)19;1-15-9-10-16(2)20(13-15)21-14-19(12-11-17(21)3)18-7-5-4-6-8-18;1-10-6-7-12-9-11-4-2-3-5-13(11)14(12)8-10;1-7-5-3-2-4-6-7/h5-12H,1-4H3;4-14H,1-3H3;2-5,7-8,10H,6,9H2,1H3;2-6H,1H3
InChIKeyOIUODYUUWPISDM-UHFFFAOYSA-N
MW819.19 g/mol
LogP17.30
Rot. Bonds2

About 1,4-dimethyl-2-(2-methyl-5-phenylphenyl)benzene;3-methyl-3,9-dihydro-2H-fluorene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene

1,4-dimethyl-2-(2-methyl-5-phenylphenyl)benzene;3-methyl-3,9-dihydro-2H-fluorene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene (PubChem CID 144613972) has the molecular formula C63H62 and a molecular weight of 819.19 g/mol. Its IUPAC name is 1,4-dimethyl-2-(2-methyl-5-phenylphenyl)benzene;3-methyl-3,9-dihydro-2H-fluorene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene.

Molecular Properties

Compound Name1,4-dimethyl-2-(2-methyl-5-phenylphenyl)benzene;3-methyl-3,9-dihydro-2H-fluorene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene
PubChem CID144613972
Molecular FormulaC63H62
Molecular Weight819.19 g/mol
Exact Mass818.49
IUPAC Name1,4-dimethyl-2-(2-methyl-5-phenylphenyl)benzene;3-methyl-3,9-dihydro-2H-fluorene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene
SMILESCC1C=C2C(=CC1)Cc1ccccc12.Cc1ccc(C)c(-c2cc(-c3ccccc3)ccc2C)c1.Cc1ccc2c(c1)C(C)(C)c1cc(C)c3ccccc3c1-2.Cc1ccccc1
InChIInChI=1S/2C21H20.C14H14.C7H8/c1-13-9-10-17-18(11-13)21(3,4)19-12-14(2)15-7-5-6-8-16(15)20(17)19;1-15-9-10-16(2)20(13-15)21-14-19(12-11-17(21)3)18-7-5-4-6-8-18;1-10-6-7-12-9-11-4-2-3-5-13(11)14(12)8-10;1-7-5-3-2-4-6-7/h5-12H,1-4H3;4-14H,1-3H3;2-5,7-8,10H,6,9H2,1H3;2-6H,1H3
InChIKeyOIUODYUUWPISDM-UHFFFAOYSA-N
XLogP17.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.19
LogP ≤ 517.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5,7,7,9-tetramethylbenzo[c]fluorene
CID 59595492
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
2-(2,5-dimethylphenyl)-1,4-dimethylbenzene;ethane;2-ethenyl-5-methyl-3-[(Z)-prop-1-enyl]-1-benzothiophene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene
CID 144613484
2,4-diphenyl-6-(5,7,7-trimethylbenzo[g]fluoren-9-yl)-1,3,5-triazine
CID 169290945
5-(3,5-dimethylphenyl)-7,7,9-trimethylbenzo[c]fluorene;ethane;2-methyl-1-(2-methylphenyl)-4-propan-2-ylbenzene;toluene
CID 144614242
2,4-dimethyl-1-(2-methylphenyl)benzene;1,2-dimethyl-4-phenylbenzene;ethane;7,7,9-trimethyl-N-[3-methyl-4-(2-methylphenyl)phenyl]-N-(2-methyl-5-phenylphenyl)benzo[c]fluoren-5-amine
CID 144614134
2-[3-[3-(9H-fluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;toluene;2,9,9-trimethylfluorene
CID 144558249
2,3-bis(ethenyl)-5-propan-2-yl-1-benzothiophene;1-ethyl-4-[(3E)-hexa-1,3,5-trien-3-yl]-2-(2-methyl-5-phenylphenyl)benzene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene
CID 144614635
9,9-dimethyl-1-(2-methylphenyl)fluorene;9,9-dimethyl-1-(3-methylphenyl)fluorene;9,9-dimethyl-3-(2-methylphenyl)fluorene;9,9-dimethyl-3-(3-methylphenyl)fluorene;9,9-dimethyl-3-(4-methylphenyl)fluorene;2,9,9-trimethyl-5-phenylfluorene
CID 161175063
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
4-tert-butyl-2-(3-tert-butyl-3,6-dimethylcyclohexa-1,5-dien-1-yl)-1-methylbenzene;1-(2-ethenylphenyl)-2,3-dimethylbenzene;5,7,7,9-tetramethylbenzo[c]fluorene;1,4-xylene
CID 144612864
7,7-dimethyl-9-naphthalen-2-yl-4-[10-(3-phenylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 163838484

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-(2-methyl-5-phenylphenyl)benzene;3-methyl-3,9-dihydro-2H-fluorene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene?
The IUPAC name of 1,4-dimethyl-2-(2-methyl-5-phenylphenyl)benzene;3-methyl-3,9-dihydro-2H-fluorene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene (CID 144613972) is 1,4-dimethyl-2-(2-methyl-5-phenylphenyl)benzene;3-methyl-3,9-dihydro-2H-fluorene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene.
What is the SMILES notation for 1,4-dimethyl-2-(2-methyl-5-phenylphenyl)benzene;3-methyl-3,9-dihydro-2H-fluorene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene?
The canonical SMILES for 1,4-dimethyl-2-(2-methyl-5-phenylphenyl)benzene;3-methyl-3,9-dihydro-2H-fluorene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene is CC1C=C2C(=CC1)Cc1ccccc12.Cc1ccc(C)c(-c2cc(-c3ccccc3)ccc2C)c1.Cc1ccc2c(c1)C(C)(C)c1cc(C)c3ccccc3c1-2.Cc1ccccc1.
What is the InChIKey of 1,4-dimethyl-2-(2-methyl-5-phenylphenyl)benzene;3-methyl-3,9-dihydro-2H-fluorene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene?
The InChIKey is OIUODYUUWPISDM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H20.C14H14.C7H8/c1-13-9-10-17-18(11-13)21(3,4)19-12-14(2)15-7-5-6-8-16(15)20(17)19;1-15-9-10-16(2)20(13-15)21-14-19(12-11-17(21)3)18-7-5-4-6-8-18;1-10-6-7-12-9-11-4-2-3-5-13(11)14(12)8-10;1-7-5-3-2-4-6-7/h5-12H,1-4H3;4-14H,1-3H3;2-5,7-8,10H,6,9H2,1H3;2-6H,1H3.
What are the key properties of 1,4-dimethyl-2-(2-methyl-5-phenylphenyl)benzene;3-methyl-3,9-dihydro-2H-fluorene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene?
1,4-dimethyl-2-(2-methyl-5-phenylphenyl)benzene;3-methyl-3,9-dihydro-2H-fluorene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene has a molecular weight of 819.19 g/mol, XLogP of 17.30, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-(2-methyl-5-phenylphenyl)benzene;3-methyl-3,9-dihydro-2H-fluorene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene is sourced from PubChem (CID 144613972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).