[6,6-bis(4-methoxyphenyl)-10-methyl-5H-phenanthren-9-yl]methanol

C30H28O3 — CID 143943828

IUPAC[6,6-bis(4-methoxyphenyl)-10-methyl-5H-phenanthren-9-yl]methanol
SMILESCOc1ccc(C2(c3ccc(OC)cc3)C=Cc3c(CO)c(C)c4ccccc4c3C2)cc1
InChIInChI=1S/C30H28O3/c1-20-25-6-4-5-7-26(25)28-18-30(17-16-27(28)29(20)19-31,21-8-12-23(32-2)13-9-21)22-10-14-24(33-3)15-11-22/h4-17,31H,18-19H2,1-3H3
InChIKeyJZNMJAOGIVGQPO-UHFFFAOYSA-N
MW436.55 g/mol
LogP6.21
Rot. Bonds5

About [6,6-bis(4-methoxyphenyl)-10-methyl-5H-phenanthren-9-yl]methanol

[6,6-bis(4-methoxyphenyl)-10-methyl-5H-phenanthren-9-yl]methanol (PubChem CID 143943828) has the molecular formula C30H28O3 and a molecular weight of 436.55 g/mol. Its IUPAC name is [6,6-bis(4-methoxyphenyl)-10-methyl-5H-phenanthren-9-yl]methanol.

Molecular Properties

Compound Name[6,6-bis(4-methoxyphenyl)-10-methyl-5H-phenanthren-9-yl]methanol
PubChem CID143943828
Molecular FormulaC30H28O3
Molecular Weight436.55 g/mol
Exact Mass436.20
IUPAC Name[6,6-bis(4-methoxyphenyl)-10-methyl-5H-phenanthren-9-yl]methanol
SMILESCOc1ccc(C2(c3ccc(OC)cc3)C=Cc3c(CO)c(C)c4ccccc4c3C2)cc1
InChIInChI=1S/C30H28O3/c1-20-25-6-4-5-7-26(25)28-18-30(17-16-27(28)29(20)19-31,21-8-12-23(32-2)13-9-21)22-10-14-24(33-3)15-11-22/h4-17,31H,18-19H2,1-3H3
InChIKeyJZNMJAOGIVGQPO-UHFFFAOYSA-N
XLogP6.21
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.55
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-bis(4-methoxyphenyl)-5-(1-phenylpropan-2-yl)-1H-naphthalene
CID 70027114
[2,2-bis(4-methoxyphenyl)-6-methylbenzo[h]chromen-5-yl]methyl 5-methyl-4-oxohexanoate
CID 123547259
10,10-bis(4-methoxyphenyl)-4,11-dioxatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),7(12),8,13,15-hexaen-5-one
CID 15508915
4,4,17,17-tetrakis(4-methoxyphenyl)-3,18-dioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8,10,12,15-heptaene
CID 4316919
2-(2-fluorophenyl)-5-methoxy-2-(4-methoxyphenyl)-1H-naphthalene
CID 57122950
2-(4-methoxyphenyl)-1,3-dihydroinden-2-ol
CID 15112860
2-cyclopropyl-2-(4-methoxyphenyl)-5-methyl-1H-naphthalene
CID 57017864
isoquinolin-1-yl-(4-methoxyphenyl)methanol
CID 4211286
5,5-bis(4-methoxyphenyl)-6,22-dioxapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,8,10,12,15,17,19-nonaen-21-one
CID 15451135
[2,2-bis(4-methoxyphenyl)-6-methylbenzo[h]chromen-5-yl]methyl 11-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]undecanoate;[2,2-bis(4-methoxyphenyl)-6-methylbenzo[h]chromen-5-yl]methyl dodecanoate;methane
CID 158417286
1-methoxy-4-(1,3,4-trimethylcyclopent-3-en-1-yl)benzene
CID 10965945
sulfanium;fluoroform;1-methoxy-4-(4-phenylphenyl)benzene
CID 162208171

Frequently Asked Questions

What is the IUPAC name of [6,6-bis(4-methoxyphenyl)-10-methyl-5H-phenanthren-9-yl]methanol?
The IUPAC name of [6,6-bis(4-methoxyphenyl)-10-methyl-5H-phenanthren-9-yl]methanol (CID 143943828) is [6,6-bis(4-methoxyphenyl)-10-methyl-5H-phenanthren-9-yl]methanol.
What is the SMILES notation for [6,6-bis(4-methoxyphenyl)-10-methyl-5H-phenanthren-9-yl]methanol?
The canonical SMILES for [6,6-bis(4-methoxyphenyl)-10-methyl-5H-phenanthren-9-yl]methanol is COc1ccc(C2(c3ccc(OC)cc3)C=Cc3c(CO)c(C)c4ccccc4c3C2)cc1.
What is the InChIKey of [6,6-bis(4-methoxyphenyl)-10-methyl-5H-phenanthren-9-yl]methanol?
The InChIKey is JZNMJAOGIVGQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28O3/c1-20-25-6-4-5-7-26(25)28-18-30(17-16-27(28)29(20)19-31,21-8-12-23(32-2)13-9-21)22-10-14-24(33-3)15-11-22/h4-17,31H,18-19H2,1-3H3.
What are the key properties of [6,6-bis(4-methoxyphenyl)-10-methyl-5H-phenanthren-9-yl]methanol?
[6,6-bis(4-methoxyphenyl)-10-methyl-5H-phenanthren-9-yl]methanol has a molecular weight of 436.55 g/mol, XLogP of 6.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6,6-bis(4-methoxyphenyl)-10-methyl-5H-phenanthren-9-yl]methanol is sourced from PubChem (CID 143943828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).