1-methyl-2,3-diphenylcyclopenta[a]naphthalen-1-ol

C26H20O — CID 56958688

IUPAC1-methyl-2,3-diphenylcyclopenta[a]naphthalen-1-ol
SMILESCC1(O)C(c2ccccc2)=C(c2ccccc2)c2ccc3ccccc3c21
InChIInChI=1S/C26H20O/c1-26(27)24(20-13-6-3-7-14-20)23(19-11-4-2-5-12-19)22-17-16-18-10-8-9-15-21(18)25(22)26/h2-17,27H,1H3
InChIKeyFSVJHMDSJKYMHH-UHFFFAOYSA-N
MW348.45 g/mol
LogP6.02
Rot. Bonds2

About 1-methyl-2,3-diphenylcyclopenta[a]naphthalen-1-ol

1-methyl-2,3-diphenylcyclopenta[a]naphthalen-1-ol (PubChem CID 56958688) has the molecular formula C26H20O and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-methyl-2,3-diphenylcyclopenta[a]naphthalen-1-ol.

Molecular Properties

Compound Name1-methyl-2,3-diphenylcyclopenta[a]naphthalen-1-ol
PubChem CID56958688
Molecular FormulaC26H20O
Molecular Weight348.45 g/mol
Exact Mass348.15
IUPAC Name1-methyl-2,3-diphenylcyclopenta[a]naphthalen-1-ol
SMILESCC1(O)C(c2ccccc2)=C(c2ccccc2)c2ccc3ccccc3c21
InChIInChI=1S/C26H20O/c1-26(27)24(20-13-6-3-7-14-20)23(19-11-4-2-5-12-19)22-17-16-18-10-8-9-15-21(18)25(22)26/h2-17,27H,1H3
InChIKeyFSVJHMDSJKYMHH-UHFFFAOYSA-N
XLogP6.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.45
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

15-methylhexacyclo[12.11.0.02,11.05,10.016,25.017,22]pentacosa-1(14),2(11),3,5,7,9,12,16(25),17,19,21,23-dodecaen-15-ol
CID 143060369
9-(3,3-dimethyl-1,2-diphenylinden-5-yl)-10-phenanthren-4-ylanthracene
CID 58194554
1,2-diphenylnaphthalene
CID 11208267
12-naphthalen-2-yl-24-phenylhexacyclo[11.11.0.02,11.03,8.014,23.015,20]tetracosa-1(24),2(11),3,5,7,9,12,14(23),15,17,19,21-dodecaene
CID 123338519
1-(2-methylnaphthalen-1-yl)-2-phenylnaphthalene
CID 11739441
25,25-dimethylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene
CID 59742066
11,11-dimethylbenzo[a]fluorene;ethane
CID 144938734
9,10-bis[3-(1-phenylnaphthalen-2-yl)phenyl]anthracene
CID 59413167
1-(2-methylphenyl)-2-phenylnaphthalene
CID 101418577
1,1'-biphenyl;naphthalene;phenanthrene
CID 157410235
nonacyclo[30.8.0.02,11.03,8.012,21.015,20.022,31.023,28.035,40]tetraconta-1(32),2(11),3,5,7,9,12(21),13,15,17,19,22(31),23,25,27,29,33,35,37,39-icosaene
CID 15525083
7,7-dimethyl-8-[10-(2-phenylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 140724953

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3-diphenylcyclopenta[a]naphthalen-1-ol?
The IUPAC name of 1-methyl-2,3-diphenylcyclopenta[a]naphthalen-1-ol (CID 56958688) is 1-methyl-2,3-diphenylcyclopenta[a]naphthalen-1-ol.
What is the SMILES notation for 1-methyl-2,3-diphenylcyclopenta[a]naphthalen-1-ol?
The canonical SMILES for 1-methyl-2,3-diphenylcyclopenta[a]naphthalen-1-ol is CC1(O)C(c2ccccc2)=C(c2ccccc2)c2ccc3ccccc3c21.
What is the InChIKey of 1-methyl-2,3-diphenylcyclopenta[a]naphthalen-1-ol?
The InChIKey is FSVJHMDSJKYMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20O/c1-26(27)24(20-13-6-3-7-14-20)23(19-11-4-2-5-12-19)22-17-16-18-10-8-9-15-21(18)25(22)26/h2-17,27H,1H3.
What are the key properties of 1-methyl-2,3-diphenylcyclopenta[a]naphthalen-1-ol?
1-methyl-2,3-diphenylcyclopenta[a]naphthalen-1-ol has a molecular weight of 348.45 g/mol, XLogP of 6.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3-diphenylcyclopenta[a]naphthalen-1-ol is sourced from PubChem (CID 56958688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).