ethane;methanol;bis(2-phenylbenzotriazole)

C30H38N6O2 — CID 162119776

IUPACethane;methanol;bis(2-phenylbenzotriazole)
SMILESCC.CC.CO.CO.c1ccc(-n2nc3ccccc3n2)cc1.c1ccc(-n2nc3ccccc3n2)cc1
InChIInChI=1S/2C12H9N3.2C2H6.2CH4O/c2*1-2-6-10(7-3-1)15-13-11-8-4-5-9-12(11)14-15;4*1-2/h2*1-9H;2*1-2H3;2*2H,1H3
InChIKeyZHGFUVPSIQBSLO-UHFFFAOYSA-N
MW514.67 g/mol
LogP6.11
Rot. Bonds2

About ethane;methanol;bis(2-phenylbenzotriazole)

ethane;methanol;bis(2-phenylbenzotriazole) (PubChem CID 162119776) has the molecular formula C30H38N6O2 and a molecular weight of 514.67 g/mol. Its IUPAC name is ethane;methanol;bis(2-phenylbenzotriazole).

Molecular Properties

Compound Nameethane;methanol;bis(2-phenylbenzotriazole)
PubChem CID162119776
Molecular FormulaC30H38N6O2
Molecular Weight514.67 g/mol
Exact Mass514.31
IUPAC Nameethane;methanol;bis(2-phenylbenzotriazole)
SMILESCC.CC.CO.CO.c1ccc(-n2nc3ccccc3n2)cc1.c1ccc(-n2nc3ccccc3n2)cc1
InChIInChI=1S/2C12H9N3.2C2H6.2CH4O/c2*1-2-6-10(7-3-1)15-13-11-8-4-5-9-12(11)14-15;4*1-2/h2*1-9H;2*1-2H3;2*2H,1H3
InChIKeyZHGFUVPSIQBSLO-UHFFFAOYSA-N
XLogP6.11
TPSA101.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.67
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-(benzotriazol-2-yl)phenol
CID 164896201
5-[4-(benzotriazol-2-yl)phenyl]-10-phenylphenazine
CID 118429547
2-(benzotriazol-2-yl)phenol;ethane
CID 54470609
2-[4-(benzotriazol-2-yl)phenoxy]-2-methylpropanoic acid
CID 11948654
benzotriazole-2-carboxylic acid;ethane
CID 90724390
phenyl-(2-phenylbenzotriazol-4-yl)methanone
CID 122215925
N-[4-(benzotriazol-2-yl)phenyl]-2-[4-(N-[4-(benzotriazol-2-yl)phenyl]anilino)phenyl]-N-phenylbenzotriazol-5-amine
CID 161309398
2-[3-(benzotriazol-2-yl)phenyl]ethenol
CID 70429689
2-phenyl-5-(trioxidanylsulfanyl)benzotriazole
CID 23539506
(2-phenylbenzotriazol-4-yl) 2-methylprop-2-enoate
CID 175263872
(5-ethyl-2-phenyltriazol-4-yl)methanol
CID 18002316
4-(benzotriazol-2-yl)benzenesulfonamide
CID 121010064

Frequently Asked Questions

What is the IUPAC name of ethane;methanol;bis(2-phenylbenzotriazole)?
The IUPAC name of ethane;methanol;bis(2-phenylbenzotriazole) (CID 162119776) is ethane;methanol;bis(2-phenylbenzotriazole).
What is the SMILES notation for ethane;methanol;bis(2-phenylbenzotriazole)?
The canonical SMILES for ethane;methanol;bis(2-phenylbenzotriazole) is CC.CC.CO.CO.c1ccc(-n2nc3ccccc3n2)cc1.c1ccc(-n2nc3ccccc3n2)cc1.
What is the InChIKey of ethane;methanol;bis(2-phenylbenzotriazole)?
The InChIKey is ZHGFUVPSIQBSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H9N3.2C2H6.2CH4O/c2*1-2-6-10(7-3-1)15-13-11-8-4-5-9-12(11)14-15;4*1-2/h2*1-9H;2*1-2H3;2*2H,1H3.
What are the key properties of ethane;methanol;bis(2-phenylbenzotriazole)?
ethane;methanol;bis(2-phenylbenzotriazole) has a molecular weight of 514.67 g/mol, XLogP of 6.11, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanol;bis(2-phenylbenzotriazole) is sourced from PubChem (CID 162119776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).