1,8-difluoro-2,7-dimethyl-9,10-dihydrophenanthrene;1,8-difluoro-2,7-dimethylphenanthrene;1,8-difluoro-2-methyl-7-[(4-methylcyclohexyl)methyl]-9,10-dihydrophenanthrene;1,8-difluoro-2-methyl-7-[(4-methylcyclohexyl)methyl]phenanthrene;1-fluoro-2,7-dimethyl-9,10-dihydrophenanthrene;1-fluoro-2,7-dimethylphenanthrene;molecular hydrogen

C110H108F10 — CID 160546763

IUPAC1,8-difluoro-2,7-dimethyl-9,10-dihydrophenanthrene;1,8-difluoro-2,7-dimethylphenanthrene;1,8-difluoro-2-methyl-7-[(4-methylcyclohexyl)methyl]-9,10-dihydrophenanthrene;1,8-difluoro-2-methyl-7-[(4-methylcyclohexyl)methyl]phenanthrene;1-fluoro-2,7-dimethyl-9,10-dihydrophenanthrene;1-fluoro-2,7-dimethylphenanthrene;molecular hydrogen
SMILESCc1ccc2c(c1)CCc1c-2ccc(C)c1F.Cc1ccc2c(c1F)CCc1c-2ccc(C)c1F.Cc1ccc2c(c1F)CCc1c-2ccc(CC2CCC(C)CC2)c1F.Cc1ccc2c(ccc3c(F)c(C)ccc32)c1.Cc1ccc2c(ccc3c(F)c(C)ccc32)c1F.Cc1ccc2c(ccc3c(F)c(CC4CCC(C)CC4)ccc32)c1F.[H][H].[H][H]
InChIInChI=1S/C23H26F2.C23H24F2.C16H14F2.C16H12F2.C16H15F.C16H13F.2H2/c2*1-14-3-6-16(7-4-14)13-17-8-10-19-18-9-5-15(2)22(24)20(18)11-12-21(19)23(17)25;2*1-9-3-5-11-12-6-4-10(2)16(18)14(12)8-7-13(11)15(9)17;2*1-10-3-6-13-12(9-10)5-8-15-14(13)7-4-11(2)16(15)17;;/h5,8-10,14,16H,3-4,6-7,11-13H2,1-2H3;5,8-12,14,16H,3-4,6-7,13H2,1-2H3;3-6H,7-8H2,1-2H3;3-8H,1-2H3;3-4,6-7,9H,5,8H2,1-2H3;3-9H,1-2H3;2*1H
InChIKeyQXNNNYCQPNJDSU-UHFFFAOYSA-N
MW1620.05 g/mol
LogP32.04
Rot. Bonds4

About 1,8-difluoro-2,7-dimethyl-9,10-dihydrophenanthrene;1,8-difluoro-2,7-dimethylphenanthrene;1,8-difluoro-2-methyl-7-[(4-methylcyclohexyl)methyl]-9,10-dihydrophenanthrene;1,8-difluoro-2-methyl-7-[(4-methylcyclohexyl)methyl]phenanthrene;1-fluoro-2,7-dimethyl-9,10-dihydrophenanthrene;1-fluoro-2,7-dimethylphenanthrene;molecular hydrogen

1,8-difluoro-2,7-dimethyl-9,10-dihydrophenanthrene;1,8-difluoro-2,7-dimethylphenanthrene;1,8-difluoro-2-methyl-7-[(4-methylcyclohexyl)methyl]-9,10-dihydrophenanthrene;1,8-difluoro-2-methyl-7-[(4-methylcyclohexyl)methyl]phenanthrene;1-fluoro-2,7-dimethyl-9,10-dihydrophenanthrene;1-fluoro-2,7-dimethylphenanthrene;molecular hydrogen (PubChem CID 160546763) has the molecular formula C110H108F10 and a molecular weight of 1620.05 g/mol. Its IUPAC name is 1,8-difluoro-2,7-dimethyl-9,10-dihydrophenanthrene;1,8-difluoro-2,7-dimethylphenanthrene;1,8-difluoro-2-methyl-7-[(4-methylcyclohexyl)methyl]-9,10-dihydrophenanthrene;1,8-difluoro-2-methyl-7-[(4-methylcyclohexyl)methyl]phenanthrene;1-fluoro-2,7-dimethyl-9,10-dihydrophenanthrene;1-fluoro-2,7-dimethylphenanthrene;molecular hydrogen.

Molecular Properties

Compound Name1,8-difluoro-2,7-dimethyl-9,10-dihydrophenanthrene;1,8-difluoro-2,7-dimethylphenanthrene;1,8-difluoro-2-methyl-7-[(4-methylcyclohexyl)methyl]-9,10-dihydrophenanthrene;1,8-difluoro-2-methyl-7-[(4-methylcyclohexyl)methyl]phenanthrene;1-fluoro-2,7-dimethyl-9,10-dihydrophenanthrene;1-fluoro-2,7-dimethylphenanthrene;molecular hydrogen
PubChem CID160546763
Molecular FormulaC110H108F10
Molecular Weight1620.05 g/mol
Exact Mass1618.83
IUPAC Name1,8-difluoro-2,7-dimethyl-9,10-dihydrophenanthrene;1,8-difluoro-2,7-dimethylphenanthrene;1,8-difluoro-2-methyl-7-[(4-methylcyclohexyl)methyl]-9,10-dihydrophenanthrene;1,8-difluoro-2-methyl-7-[(4-methylcyclohexyl)methyl]phenanthrene;1-fluoro-2,7-dimethyl-9,10-dihydrophenanthrene;1-fluoro-2,7-dimethylphenanthrene;molecular hydrogen
SMILESCc1ccc2c(c1)CCc1c-2ccc(C)c1F.Cc1ccc2c(c1F)CCc1c-2ccc(C)c1F.Cc1ccc2c(c1F)CCc1c-2ccc(CC2CCC(C)CC2)c1F.Cc1ccc2c(ccc3c(F)c(C)ccc32)c1.Cc1ccc2c(ccc3c(F)c(C)ccc32)c1F.Cc1ccc2c(ccc3c(F)c(CC4CCC(C)CC4)ccc32)c1F.[H][H].[H][H]
InChIInChI=1S/C23H26F2.C23H24F2.C16H14F2.C16H12F2.C16H15F.C16H13F.2H2/c2*1-14-3-6-16(7-4-14)13-17-8-10-19-18-9-5-15(2)22(24)20(18)11-12-21(19)23(17)25;2*1-9-3-5-11-12-6-4-10(2)16(18)14(12)8-7-13(11)15(9)17;2*1-10-3-6-13-12(9-10)5-8-15-14(13)7-4-11(2)16(15)17;;/h5,8-10,14,16H,3-4,6-7,11-13H2,1-2H3;5,8-12,14,16H,3-4,6-7,13H2,1-2H3;3-6H,7-8H2,1-2H3;3-8H,1-2H3;3-4,6-7,9H,5,8H2,1-2H3;3-9H,1-2H3;2*1H
InChIKeyQXNNNYCQPNJDSU-UHFFFAOYSA-N
XLogP32.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms120
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001620.05
LogP ≤ 532.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1,8-difluoro-2,7-dimethyl-9,10-dihydrophenanthrene;1,8-difluoro-2,7-dimethylphenanthrene;1,8-difluoro-2-methyl-7-[(4-methylcyclohexyl)methyl]-9,10-dihydrophenanthrene;1,8-difluoro-2-methyl-7-[(4-methylcyclohexyl)methyl]phenanthrene;1-fluoro-2,7-dimethyl-9,10-dihydrophenanthrene;1-fluoro-2,7-dimethylphenanthrene;molecular hydrogen 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

1-fluoro-2,7-dimethyl-9,10-dihydrophenanthrene;3-fluoro-2,7-dimethylphenanthrene
CID 142043259
1-fluoro-2,7-dimethylphenanthrene
CID 21032854
1,6-dimethyl-4-[(4-methylcyclohexyl)methyl]naphthalene
CID 123270650
1-[[2,3-difluoro-4-[(4-methylcyclohexyl)methyl]phenyl]methyl]-2,3-difluoro-4-methylbenzene
CID 134273621
CID 161186786
CID 161186786
2,3-difluoro-1-methyl-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]benzene;methane
CID 158762023
1-(cyclopropylmethyl)-2,4-dimethylbenzene
CID 156717993
2,7-dimethyl-9,10-dihydrophenanthrene
CID 23550290
4-[(2,5-dimethylphenyl)methyl]cyclohexan-1-ol
CID 116928416
2,3-difluoro-1-methoxy-4-[(4-methylcyclohexyl)methyl]benzene
CID 20742506
2,3-difluoro-1-[(4-methylcyclohexyl)methyl]-4-propan-2-ylbenzene
CID 91116648
3,10-dimethyl-5,6,12,13-tetrahydronaphtho[1,2-b]phenanthrene
CID 21042275

Frequently Asked Questions

What is the IUPAC name of 1,8-difluoro-2,7-dimethyl-9,10-dihydrophenanthrene;1,8-difluoro-2,7-dimethylphenanthrene;1,8-difluoro-2-methyl-7-[(4-methylcyclohexyl)methyl]-9,10-dihydrophenanthrene;1,8-difluoro-2-methyl-7-[(4-methylcyclohexyl)methyl]phenanthrene;1-fluoro-2,7-dimethyl-9,10-dihydrophenanthrene;1-fluoro-2,7-dimethylphenanthrene;molecular hydrogen?
The IUPAC name of 1,8-difluoro-2,7-dimethyl-9,10-dihydrophenanthrene;1,8-difluoro-2,7-dimethylphenanthrene;1,8-difluoro-2-methyl-7-[(4-methylcyclohexyl)methyl]-9,10-dihydrophenanthrene;1,8-difluoro-2-methyl-7-[(4-methylcyclohexyl)methyl]phenanthrene;1-fluoro-2,7-dimethyl-9,10-dihydrophenanthrene;1-fluoro-2,7-dimethylphenanthrene;molecular hydrogen (CID 160546763) is 1,8-difluoro-2,7-dimethyl-9,10-dihydrophenanthrene;1,8-difluoro-2,7-dimethylphenanthrene;1,8-difluoro-2-methyl-7-[(4-methylcyclohexyl)methyl]-9,10-dihydrophenanthrene;1,8-difluoro-2-methyl-7-[(4-methylcyclohexyl)methyl]phenanthrene;1-fluoro-2,7-dimethyl-9,10-dihydrophenanthrene;1-fluoro-2,7-dimethylphenanthrene;molecular hydrogen.
What is the SMILES notation for 1,8-difluoro-2,7-dimethyl-9,10-dihydrophenanthrene;1,8-difluoro-2,7-dimethylphenanthrene;1,8-difluoro-2-methyl-7-[(4-methylcyclohexyl)methyl]-9,10-dihydrophenanthrene;1,8-difluoro-2-methyl-7-[(4-methylcyclohexyl)methyl]phenanthrene;1-fluoro-2,7-dimethyl-9,10-dihydrophenanthrene;1-fluoro-2,7-dimethylphenanthrene;molecular hydrogen?
The canonical SMILES for 1,8-difluoro-2,7-dimethyl-9,10-dihydrophenanthrene;1,8-difluoro-2,7-dimethylphenanthrene;1,8-difluoro-2-methyl-7-[(4-methylcyclohexyl)methyl]-9,10-dihydrophenanthrene;1,8-difluoro-2-methyl-7-[(4-methylcyclohexyl)methyl]phenanthrene;1-fluoro-2,7-dimethyl-9,10-dihydrophenanthrene;1-fluoro-2,7-dimethylphenanthrene;molecular hydrogen is Cc1ccc2c(c1)CCc1c-2ccc(C)c1F.Cc1ccc2c(c1F)CCc1c-2ccc(C)c1F.Cc1ccc2c(c1F)CCc1c-2ccc(CC2CCC(C)CC2)c1F.Cc1ccc2c(ccc3c(F)c(C)ccc32)c1.Cc1ccc2c(ccc3c(F)c(C)ccc32)c1F.Cc1ccc2c(ccc3c(F)c(CC4CCC(C)CC4)ccc32)c1F.[H][H].[H][H].
What is the InChIKey of 1,8-difluoro-2,7-dimethyl-9,10-dihydrophenanthrene;1,8-difluoro-2,7-dimethylphenanthrene;1,8-difluoro-2-methyl-7-[(4-methylcyclohexyl)methyl]-9,10-dihydrophenanthrene;1,8-difluoro-2-methyl-7-[(4-methylcyclohexyl)methyl]phenanthrene;1-fluoro-2,7-dimethyl-9,10-dihydrophenanthrene;1-fluoro-2,7-dimethylphenanthrene;molecular hydrogen?
The InChIKey is QXNNNYCQPNJDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2.C23H24F2.C16H14F2.C16H12F2.C16H15F.C16H13F.2H2/c2*1-14-3-6-16(7-4-14)13-17-8-10-19-18-9-5-15(2)22(24)20(18)11-12-21(19)23(17)25;2*1-9-3-5-11-12-6-4-10(2)16(18)14(12)8-7-13(11)15(9)17;2*1-10-3-6-13-12(9-10)5-8-15-14(13)7-4-11(2)16(15)17;;/h5,8-10,14,16H,3-4,6-7,11-13H2,1-2H3;5,8-12,14,16H,3-4,6-7,13H2,1-2H3;3-6H,7-8H2,1-2H3;3-8H,1-2H3;3-4,6-7,9H,5,8H2,1-2H3;3-9H,1-2H3;2*1H.
What are the key properties of 1,8-difluoro-2,7-dimethyl-9,10-dihydrophenanthrene;1,8-difluoro-2,7-dimethylphenanthrene;1,8-difluoro-2-methyl-7-[(4-methylcyclohexyl)methyl]-9,10-dihydrophenanthrene;1,8-difluoro-2-methyl-7-[(4-methylcyclohexyl)methyl]phenanthrene;1-fluoro-2,7-dimethyl-9,10-dihydrophenanthrene;1-fluoro-2,7-dimethylphenanthrene;molecular hydrogen?
1,8-difluoro-2,7-dimethyl-9,10-dihydrophenanthrene;1,8-difluoro-2,7-dimethylphenanthrene;1,8-difluoro-2-methyl-7-[(4-methylcyclohexyl)methyl]-9,10-dihydrophenanthrene;1,8-difluoro-2-methyl-7-[(4-methylcyclohexyl)methyl]phenanthrene;1-fluoro-2,7-dimethyl-9,10-dihydrophenanthrene;1-fluoro-2,7-dimethylphenanthrene;molecular hydrogen has a molecular weight of 1620.05 g/mol, XLogP of 32.04, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-difluoro-2,7-dimethyl-9,10-dihydrophenanthrene;1,8-difluoro-2,7-dimethylphenanthrene;1,8-difluoro-2-methyl-7-[(4-methylcyclohexyl)methyl]-9,10-dihydrophenanthrene;1,8-difluoro-2-methyl-7-[(4-methylcyclohexyl)methyl]phenanthrene;1-fluoro-2,7-dimethyl-9,10-dihydrophenanthrene;1-fluoro-2,7-dimethylphenanthrene;molecular hydrogen is sourced from PubChem (CID 160546763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).