9-(2-ethylhexyl)-2,7,9,10-tetramethyl-10-(4-methylphenyl)phenanthrene

C33H42 — CID 58833536

IUPAC9-(2-ethylhexyl)-2,7,9,10-tetramethyl-10-(4-methylphenyl)phenanthrene
SMILESCCCCC(CC)CC1(C)c2cc(C)ccc2-c2ccc(C)cc2C1(C)c1ccc(C)cc1
InChIInChI=1S/C33H42/c1-8-10-11-26(9-2)22-32(6)30-20-24(4)14-18-28(30)29-19-15-25(5)21-31(29)33(32,7)27-16-12-23(3)13-17-27/h12-21,26H,8-11,22H2,1-7H3
InChIKeyVOGWRNVAHICAIJ-UHFFFAOYSA-N
MW438.70 g/mol
LogP9.46
Rot. Bonds7

About 9-(2-ethylhexyl)-2,7,9,10-tetramethyl-10-(4-methylphenyl)phenanthrene

9-(2-ethylhexyl)-2,7,9,10-tetramethyl-10-(4-methylphenyl)phenanthrene (PubChem CID 58833536) has the molecular formula C33H42 and a molecular weight of 438.70 g/mol. Its IUPAC name is 9-(2-ethylhexyl)-2,7,9,10-tetramethyl-10-(4-methylphenyl)phenanthrene.

Molecular Properties

Compound Name9-(2-ethylhexyl)-2,7,9,10-tetramethyl-10-(4-methylphenyl)phenanthrene
PubChem CID58833536
Molecular FormulaC33H42
Molecular Weight438.70 g/mol
Exact Mass438.33
IUPAC Name9-(2-ethylhexyl)-2,7,9,10-tetramethyl-10-(4-methylphenyl)phenanthrene
SMILESCCCCC(CC)CC1(C)c2cc(C)ccc2-c2ccc(C)cc2C1(C)c1ccc(C)cc1
InChIInChI=1S/C33H42/c1-8-10-11-26(9-2)22-32(6)30-20-24(4)14-18-28(30)29-19-15-25(5)21-31(29)33(32,7)27-16-12-23(3)13-17-27/h12-21,26H,8-11,22H2,1-7H3
InChIKeyVOGWRNVAHICAIJ-UHFFFAOYSA-N
XLogP9.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.70
LogP ≤ 59.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[9,9-bis(2-ethylhexyl)-7-methylfluoren-2-yl]-7-methylfluoren-9-one
CID 20751967
9-(2-ethylhexyl)-9-(3-hexylphenyl)-2,7-dimethylfluorene
CID 140661828
4-[9,9-bis(2-ethylhexyl)-7-methylfluoren-2-yl]-7-methyl-2,1,3-benzothiadiazole
CID 90352299
2,3-bis(ethenyl)-1-(2-ethylhexyl)-6-methyl-1-(2-methylpropyl)indene
CID 91429357
2,7-bis(4-bromophenyl)-9,9-bis(2-ethylhexyl)fluorene
CID 86093242
2,7-bis[4-[9,9-bis(2-ethylhexyl)fluoren-2-yl]phenyl]-9,9-bis(2-ethylhexyl)fluorene
CID 101111092
1-(2-bromo-4-methylphenyl)-3-ethylheptan-1-amine
CID 115806741
2-[3,5-bis[4-(2-ethylhexoxy)phenyl]phenyl]-7-methyl-9,9-dipropylfluorene
CID 58012931
9-(3-tert-butylphenyl)-2,7,9-trimethylfluorene;bis(9-(3,5-dimethylphenyl)-2,7,9-trimethylfluorene);9-[4-(2-ethoxyethoxy)phenyl]-2,7,9-trimethylfluorene;9-(2-ethylhexyl)-2,7-dimethyl-9-(3-methylphenyl)fluorene;2,7,9-trimethyl-9-(4-methylphenyl)fluorene
CID 161024505
5-[5-[9,9-bis(2-ethylhexyl)-7-methylfluoren-2-yl]thiophen-2-yl]-2,3-bis(4-fluorophenyl)-8-(5-methylthiophen-2-yl)quinoxaline
CID 58500506
9-hexyl-2,7,9-trimethylfluorene
CID 123978298
4-[4-(9,9-dihexyl-7-methylfluoren-2-yl)phenyl]-1-(2-ethylhexyl)-3-methyl-5-(4-methylphenyl)-2H-imidazole
CID 135024031

Frequently Asked Questions

What is the IUPAC name of 9-(2-ethylhexyl)-2,7,9,10-tetramethyl-10-(4-methylphenyl)phenanthrene?
The IUPAC name of 9-(2-ethylhexyl)-2,7,9,10-tetramethyl-10-(4-methylphenyl)phenanthrene (CID 58833536) is 9-(2-ethylhexyl)-2,7,9,10-tetramethyl-10-(4-methylphenyl)phenanthrene.
What is the SMILES notation for 9-(2-ethylhexyl)-2,7,9,10-tetramethyl-10-(4-methylphenyl)phenanthrene?
The canonical SMILES for 9-(2-ethylhexyl)-2,7,9,10-tetramethyl-10-(4-methylphenyl)phenanthrene is CCCCC(CC)CC1(C)c2cc(C)ccc2-c2ccc(C)cc2C1(C)c1ccc(C)cc1.
What is the InChIKey of 9-(2-ethylhexyl)-2,7,9,10-tetramethyl-10-(4-methylphenyl)phenanthrene?
The InChIKey is VOGWRNVAHICAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H42/c1-8-10-11-26(9-2)22-32(6)30-20-24(4)14-18-28(30)29-19-15-25(5)21-31(29)33(32,7)27-16-12-23(3)13-17-27/h12-21,26H,8-11,22H2,1-7H3.
What are the key properties of 9-(2-ethylhexyl)-2,7,9,10-tetramethyl-10-(4-methylphenyl)phenanthrene?
9-(2-ethylhexyl)-2,7,9,10-tetramethyl-10-(4-methylphenyl)phenanthrene has a molecular weight of 438.70 g/mol, XLogP of 9.46, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-ethylhexyl)-2,7,9,10-tetramethyl-10-(4-methylphenyl)phenanthrene is sourced from PubChem (CID 58833536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).