1,2-dimethoxy-5,11-diphenylchrysene

C32H24O2 — CID 87132539

IUPAC1,2-dimethoxy-5,11-diphenylchrysene
SMILESCOc1ccc2c(cc(-c3ccccc3)c3c4ccccc4cc(-c4ccccc4)c23)c1OC
InChIInChI=1S/C32H24O2/c1-33-29-18-17-25-28(32(29)34-2)20-27(22-13-7-4-8-14-22)30-24-16-10-9-15-23(24)19-26(31(25)30)21-11-5-3-6-12-21/h3-20H,1-2H3
InChIKeyQJZVPMVGSIDMJD-UHFFFAOYSA-N
MW440.54 g/mol
LogP8.50
Rot. Bonds4

About 1,2-dimethoxy-5,11-diphenylchrysene

1,2-dimethoxy-5,11-diphenylchrysene (PubChem CID 87132539) has the molecular formula C32H24O2 and a molecular weight of 440.54 g/mol. Its IUPAC name is 1,2-dimethoxy-5,11-diphenylchrysene.

Molecular Properties

Compound Name1,2-dimethoxy-5,11-diphenylchrysene
PubChem CID87132539
Molecular FormulaC32H24O2
Molecular Weight440.54 g/mol
Exact Mass440.18
IUPAC Name1,2-dimethoxy-5,11-diphenylchrysene
SMILESCOc1ccc2c(cc(-c3ccccc3)c3c4ccccc4cc(-c4ccccc4)c23)c1OC
InChIInChI=1S/C32H24O2/c1-33-29-18-17-25-28(32(29)34-2)20-27(22-13-7-4-8-14-22)30-24-16-10-9-15-23(24)19-26(31(25)30)21-11-5-3-6-12-21/h3-20H,1-2H3
InChIKeyQJZVPMVGSIDMJD-UHFFFAOYSA-N
XLogP8.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.54
LogP ≤ 58.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,2-dimethoxy-5,11-diphenylchrysene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,6-dimethoxy-1,3-diphenylnaphthalen-2-ol
CID 10915274
5,7-diphenylbenzo[c]phenanthrene
CID 123858461
14,18,22,33,37,42,44,46-octakis-phenyltridecacyclo[22.14.2.22,5.26,9.225,28.03,20.04,17.07,16.08,13.021,39.026,35.027,32.036,40]hexatetraconta-1(39),2(46),3,5(45),6(44),7,9(43),10,12,14,16,18,20,22,24(40),25(42),26,28(41),29,31,33,35,37-tricosaene
CID 140707300
9-methoxy-6-phenylnaphtho[2,1-b][1]benzofuran
CID 155128175
1,11-dimethoxychrysene
CID 175599943
adamantane;tris(1,2,3-trimethoxy-4-phenylbenzene)
CID 175349946
6,7,8-trimethoxy-1,3-diphenylnaphthalen-2-ol
CID 102302660
5,6-dimethoxy-2-phenylnaphthalene-1-carbonitrile
CID 11077097
N,N-diphenyl-4-[4-[11-[4-[4-(N-phenylanilino)phenyl]phenyl]chrysen-5-yl]phenyl]aniline
CID 59987791
6,7-dimethoxy-1,4-diphenylnaphthalene
CID 134090814
5-methoxybenzo[c]phenanthrene
CID 621003
3,21-diphenyl-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 10645762

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-5,11-diphenylchrysene?
The IUPAC name of 1,2-dimethoxy-5,11-diphenylchrysene (CID 87132539) is 1,2-dimethoxy-5,11-diphenylchrysene.
What is the SMILES notation for 1,2-dimethoxy-5,11-diphenylchrysene?
The canonical SMILES for 1,2-dimethoxy-5,11-diphenylchrysene is COc1ccc2c(cc(-c3ccccc3)c3c4ccccc4cc(-c4ccccc4)c23)c1OC.
What is the InChIKey of 1,2-dimethoxy-5,11-diphenylchrysene?
The InChIKey is QJZVPMVGSIDMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24O2/c1-33-29-18-17-25-28(32(29)34-2)20-27(22-13-7-4-8-14-22)30-24-16-10-9-15-23(24)19-26(31(25)30)21-11-5-3-6-12-21/h3-20H,1-2H3.
What are the key properties of 1,2-dimethoxy-5,11-diphenylchrysene?
1,2-dimethoxy-5,11-diphenylchrysene has a molecular weight of 440.54 g/mol, XLogP of 8.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-5,11-diphenylchrysene is sourced from PubChem (CID 87132539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).