dichloro-[10-(4-methoxyphenyl)phenanthren-9-yl]alumane

C21H15AlCl2O — CID 135034522

IUPACdichloro-[10-(4-methoxyphenyl)phenanthren-9-yl]alumane
SMILESCOc1ccc(-c2c([Al](Cl)Cl)c3ccccc3c3ccccc23)cc1
InChIInChI=1S/C21H15O.Al.2ClH/c1-22-17-12-10-15(11-13-17)21-14-16-6-2-3-7-18(16)19-8-4-5-9-20(19)21;;;/h2-13H,1H3;;2*1H/q;+2;;/p-2
InChIKeyBDPPHNMUEIRZSB-UHFFFAOYSA-L
MW381.24 g/mol
LogP5.84
Rot. Bonds3

About dichloro-[10-(4-methoxyphenyl)phenanthren-9-yl]alumane

dichloro-[10-(4-methoxyphenyl)phenanthren-9-yl]alumane (PubChem CID 135034522) has the molecular formula C21H15AlCl2O and a molecular weight of 381.24 g/mol. Its IUPAC name is dichloro-[10-(4-methoxyphenyl)phenanthren-9-yl]alumane.

Molecular Properties

Compound Namedichloro-[10-(4-methoxyphenyl)phenanthren-9-yl]alumane
PubChem CID135034522
Molecular FormulaC21H15AlCl2O
Molecular Weight381.24 g/mol
Exact Mass380.03
IUPAC Namedichloro-[10-(4-methoxyphenyl)phenanthren-9-yl]alumane
SMILESCOc1ccc(-c2c([Al](Cl)Cl)c3ccccc3c3ccccc23)cc1
InChIInChI=1S/C21H15O.Al.2ClH/c1-22-17-12-10-15(11-13-17)21-14-16-6-2-3-7-18(16)19-8-4-5-9-20(19)21;;;/h2-13H,1H3;;2*1H/q;+2;;/p-2
InChIKeyBDPPHNMUEIRZSB-UHFFFAOYSA-L
XLogP5.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.24
LogP ≤ 55.84
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

3-methoxy-9-(4-methylphenyl)-10-phenylphenanthrene
CID 154708061
9-(2-methoxyphenyl)-10-(4-methoxyphenyl)anthracene
CID 11523963
9-(4-methoxyphenyl)-10-[4-(trifluoromethyl)phenyl]anthracene
CID 122370617
1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene
CID 138981847
9,10-bis(3,5-dimethoxyphenyl)anthracene
CID 11961931
9,10-bis(4-methoxyphenyl)-1-propan-2-ylphenanthrene
CID 134959930
2-(4-methoxyphenyl)-5-[10-[5-(4-methoxyphenyl)thiophen-2-yl]anthracen-9-yl]thiophene
CID 151477310
2,3-bis(4-methoxyphenyl)-1H-indole
CID 21129
methyl 4-(4-methoxyphenyl)-1-oxo-2H-isoquinoline-3-carboxylate
CID 134913436
1,3-bis(4-methoxyphenyl)-2-benzothiophene
CID 14668872
2,6,9,10-tetrakis(4-methoxyphenyl)anthracene
CID 139177810
6-methoxy-2-[4-[10-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]anthracen-9-yl]phenyl]-1,3-benzothiazole
CID 22960185

Frequently Asked Questions

What is the IUPAC name of dichloro-[10-(4-methoxyphenyl)phenanthren-9-yl]alumane?
The IUPAC name of dichloro-[10-(4-methoxyphenyl)phenanthren-9-yl]alumane (CID 135034522) is dichloro-[10-(4-methoxyphenyl)phenanthren-9-yl]alumane.
What is the SMILES notation for dichloro-[10-(4-methoxyphenyl)phenanthren-9-yl]alumane?
The canonical SMILES for dichloro-[10-(4-methoxyphenyl)phenanthren-9-yl]alumane is COc1ccc(-c2c([Al](Cl)Cl)c3ccccc3c3ccccc23)cc1.
What is the InChIKey of dichloro-[10-(4-methoxyphenyl)phenanthren-9-yl]alumane?
The InChIKey is BDPPHNMUEIRZSB-UHFFFAOYSA-L. The full InChI is InChI=1S/C21H15O.Al.2ClH/c1-22-17-12-10-15(11-13-17)21-14-16-6-2-3-7-18(16)19-8-4-5-9-20(19)21;;;/h2-13H,1H3;;2*1H/q;+2;;/p-2.
What are the key properties of dichloro-[10-(4-methoxyphenyl)phenanthren-9-yl]alumane?
dichloro-[10-(4-methoxyphenyl)phenanthren-9-yl]alumane has a molecular weight of 381.24 g/mol, XLogP of 5.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-[10-(4-methoxyphenyl)phenanthren-9-yl]alumane is sourced from PubChem (CID 135034522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).