1-methoxy-9,10-diphenylphenanthrene

C27H20O — CID 11439822

IUPAC1-methoxy-9,10-diphenylphenanthrene
SMILESCOc1cccc2c1c(-c1ccccc1)c(-c1ccccc1)c1ccccc12
InChIInChI=1S/C27H20O/c1-28-24-18-10-17-23-21-15-8-9-16-22(21)25(19-11-4-2-5-12-19)26(27(23)24)20-13-6-3-7-14-20/h2-18H,1H3
InChIKeyWILOIMPGVZJRSJ-UHFFFAOYSA-N
MW360.46 g/mol
LogP7.34
Rot. Bonds3

About 1-methoxy-9,10-diphenylphenanthrene

1-methoxy-9,10-diphenylphenanthrene (PubChem CID 11439822) has the molecular formula C27H20O and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-methoxy-9,10-diphenylphenanthrene.

Molecular Properties

Compound Name1-methoxy-9,10-diphenylphenanthrene
PubChem CID11439822
Molecular FormulaC27H20O
Molecular Weight360.46 g/mol
Exact Mass360.15
IUPAC Name1-methoxy-9,10-diphenylphenanthrene
SMILESCOc1cccc2c1c(-c1ccccc1)c(-c1ccccc1)c1ccccc12
InChIInChI=1S/C27H20O/c1-28-24-18-10-17-23-21-15-8-9-16-22(21)25(19-11-4-2-5-12-19)26(27(23)24)20-13-6-3-7-14-20/h2-18H,1H3
InChIKeyWILOIMPGVZJRSJ-UHFFFAOYSA-N
XLogP7.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

8-methoxy-7,12-diphenylbenzo[k]fluoranthene
CID 151612057
2,3-dimethoxy-9,10-diphenylphenanthrene
CID 86084534
1,3-dimethoxy-2-phenylbenzene;hydrochloride
CID 175871248
9-methoxy-7,8-diphenylnaphtho[2,1-c]chromen-6-one
CID 166440625
8-methoxy-3-methyl-4-phenylnaphthalen-1-ol
CID 101420154
1-(methoxymethoxy)-9,10-diphenylanthracene
CID 15173786
31,32-diphenylnonacyclo[16.14.0.02,9.03,8.010,17.011,16.019,30.022,29.023,28]dotriaconta-1(32),2(9),3,5,7,10(17),11,13,15,18,20,22(29),23,25,27,30-hexadecaene
CID 134945087
9,10-bis(4-methoxyphenyl)-1-propan-2-ylphenanthrene
CID 134959930
4-methoxy-1-phenylnaphthalene-2-carbonitrile
CID 24974972
4-methoxyhexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3(8),4,6,9,11,13,16,18,20(24),21-dodecaen-17-ol
CID 177433855
ethane;5,6,11,12-tetraphenyltetracene
CID 91142519
4-(4-methylphenyl)-3,5,6-triphenylhexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaene
CID 123196771

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-9,10-diphenylphenanthrene?
The IUPAC name of 1-methoxy-9,10-diphenylphenanthrene (CID 11439822) is 1-methoxy-9,10-diphenylphenanthrene.
What is the SMILES notation for 1-methoxy-9,10-diphenylphenanthrene?
The canonical SMILES for 1-methoxy-9,10-diphenylphenanthrene is COc1cccc2c1c(-c1ccccc1)c(-c1ccccc1)c1ccccc12.
What is the InChIKey of 1-methoxy-9,10-diphenylphenanthrene?
The InChIKey is WILOIMPGVZJRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20O/c1-28-24-18-10-17-23-21-15-8-9-16-22(21)25(19-11-4-2-5-12-19)26(27(23)24)20-13-6-3-7-14-20/h2-18H,1H3.
What are the key properties of 1-methoxy-9,10-diphenylphenanthrene?
1-methoxy-9,10-diphenylphenanthrene has a molecular weight of 360.46 g/mol, XLogP of 7.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-9,10-diphenylphenanthrene is sourced from PubChem (CID 11439822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).