9,10-bis(4-methoxyphenyl)-1-propan-2-ylphenanthrene

C31H28O2 — CID 134959930

IUPAC9,10-bis(4-methoxyphenyl)-1-propan-2-ylphenanthrene
SMILESCOc1ccc(-c2c(-c3ccc(OC)cc3)c3c(C(C)C)cccc3c3ccccc23)cc1
InChIInChI=1S/C31H28O2/c1-20(2)25-10-7-11-28-26-8-5-6-9-27(26)29(21-12-16-23(32-3)17-13-21)30(31(25)28)22-14-18-24(33-4)19-15-22/h5-20H,1-4H3
InChIKeyXSOSRVXTUNYEAY-UHFFFAOYSA-N
MW432.56 g/mol
LogP8.47
Rot. Bonds5

About 9,10-bis(4-methoxyphenyl)-1-propan-2-ylphenanthrene

9,10-bis(4-methoxyphenyl)-1-propan-2-ylphenanthrene (PubChem CID 134959930) has the molecular formula C31H28O2 and a molecular weight of 432.56 g/mol. Its IUPAC name is 9,10-bis(4-methoxyphenyl)-1-propan-2-ylphenanthrene.

Molecular Properties

Compound Name9,10-bis(4-methoxyphenyl)-1-propan-2-ylphenanthrene
PubChem CID134959930
Molecular FormulaC31H28O2
Molecular Weight432.56 g/mol
Exact Mass432.21
IUPAC Name9,10-bis(4-methoxyphenyl)-1-propan-2-ylphenanthrene
SMILESCOc1ccc(-c2c(-c3ccc(OC)cc3)c3c(C(C)C)cccc3c3ccccc23)cc1
InChIInChI=1S/C31H28O2/c1-20(2)25-10-7-11-28-26-8-5-6-9-27(26)29(21-12-16-23(32-3)17-13-21)30(31(25)28)22-14-18-24(33-4)19-15-22/h5-20H,1-4H3
InChIKeyXSOSRVXTUNYEAY-UHFFFAOYSA-N
XLogP8.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.56
LogP ≤ 58.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-9,10-diphenylphenanthrene
CID 11439822
7,12-bis(4-methoxyphenyl)-3-naphthalen-2-ylbenzo[k]fluoranthene
CID 71105856
2-ethoxy-1,3,4,5-tetrakis(4-methoxyphenyl)pyrene
CID 175215990
dichloro-[10-(4-methoxyphenyl)phenanthren-9-yl]alumane
CID 135034522
2-(4-methoxyphenyl)-5-[10-[5-(4-methoxyphenyl)thiophen-2-yl]anthracen-9-yl]thiophene
CID 151477310
3-methoxy-9-(4-methylphenyl)-10-phenylphenanthrene
CID 154708061
9,24,36-tris(4-methoxyphenyl)tridecacyclo[20.18.2.22,5.16,10.126,30.03,18.04,15.019,41.023,37.025,35.038,42.014,44.034,43]hexatetraconta-1(40),2(46),3(18),4(15),5(45),6,8,10,12,14(44),16,19(41),20,22(42),23,25(35),26,28,30(43),31,33,36,38-tricosaene
CID 147141731
9-(2-methoxyphenyl)-10-(4-methoxyphenyl)anthracene
CID 11523963
9-(4-methoxyphenyl)-10-[4-(trifluoromethyl)phenyl]anthracene
CID 122370617
3-[4-[7,10-bis(4-methoxyphenyl)-8,9-diphenylfluoranthen-3-yl]naphthalen-1-yl]-7,10-bis(4-methoxyphenyl)-8,9-diphenylfluoranthene
CID 163603931
1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene
CID 138981847
8-N,22-N-bis(4-methoxyphenyl)-3,15-diphenyl-8-N,22-N-bis(4-propan-2-ylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine
CID 58890448

Frequently Asked Questions

What is the IUPAC name of 9,10-bis(4-methoxyphenyl)-1-propan-2-ylphenanthrene?
The IUPAC name of 9,10-bis(4-methoxyphenyl)-1-propan-2-ylphenanthrene (CID 134959930) is 9,10-bis(4-methoxyphenyl)-1-propan-2-ylphenanthrene.
What is the SMILES notation for 9,10-bis(4-methoxyphenyl)-1-propan-2-ylphenanthrene?
The canonical SMILES for 9,10-bis(4-methoxyphenyl)-1-propan-2-ylphenanthrene is COc1ccc(-c2c(-c3ccc(OC)cc3)c3c(C(C)C)cccc3c3ccccc23)cc1.
What is the InChIKey of 9,10-bis(4-methoxyphenyl)-1-propan-2-ylphenanthrene?
The InChIKey is XSOSRVXTUNYEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28O2/c1-20(2)25-10-7-11-28-26-8-5-6-9-27(26)29(21-12-16-23(32-3)17-13-21)30(31(25)28)22-14-18-24(33-4)19-15-22/h5-20H,1-4H3.
What are the key properties of 9,10-bis(4-methoxyphenyl)-1-propan-2-ylphenanthrene?
9,10-bis(4-methoxyphenyl)-1-propan-2-ylphenanthrene has a molecular weight of 432.56 g/mol, XLogP of 8.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-bis(4-methoxyphenyl)-1-propan-2-ylphenanthrene is sourced from PubChem (CID 134959930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).