[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecachlorodecoxy(diphenyl)methyl]benzene

C29H19Cl17O — CID 57017434

IUPAC[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecachlorodecoxy(diphenyl)methyl]benzene
SMILESClC(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)CCOC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H19Cl17O/c30-21(31,23(32,33)24(34,35)25(36,37)26(38,39)27(40,41)28(42,43)29(44,45)46)16-17-47-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2
InChIKeyRWUNIWQVUBBIEQ-UHFFFAOYSA-N
MW986.17 g/mol
LogP14.97
Rot. Bonds13

About [3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecachlorodecoxy(diphenyl)methyl]benzene

[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecachlorodecoxy(diphenyl)methyl]benzene (PubChem CID 57017434) has the molecular formula C29H19Cl17O and a molecular weight of 986.17 g/mol. Its IUPAC name is [3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecachlorodecoxy(diphenyl)methyl]benzene.

Molecular Properties

Compound Name[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecachlorodecoxy(diphenyl)methyl]benzene
PubChem CID57017434
Molecular FormulaC29H19Cl17O
Molecular Weight986.17 g/mol
Exact Mass977.61
IUPAC Name[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecachlorodecoxy(diphenyl)methyl]benzene
SMILESClC(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)CCOC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H19Cl17O/c30-21(31,23(32,33)24(34,35)25(36,37)26(38,39)27(40,41)28(42,43)29(44,45)46)16-17-47-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2
InChIKeyRWUNIWQVUBBIEQ-UHFFFAOYSA-N
XLogP14.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500986.17
LogP ≤ 514.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze [3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecachlorodecoxy(diphenyl)methyl]benzene 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

[2-dichlorophosphoryloxyethoxy(diphenyl)methyl]benzene
CID 88760724
3-trityloxypropanal
CID 571223
1,4-ditrityloxybutan-2-ol
CID 13443283
1,5-ditrityloxypentan-3-ol
CID 140507927
trityloxymethanamine
CID 59526425
heptakis([diphenyl(propoxy)methyl]benzene);2-trityloxyethanol
CID 159570808
[diphenyl(2-phenylmethoxyethoxy)methyl]benzene
CID 99938038
(1,1,1,2,2,4,4,5,5,5-decachloro-3-phenylpentan-3-yl)benzene
CID 154603995
[2-[2-methyl-4-(2-methyl-4-phenylmethoxybutan-2-yl)oxybutan-2-yl]oxyethoxy-diphenylmethyl]benzene
CID 143148556
(3S)-1-trityloxypentan-3-ol
CID 11163798
lithium [but-3-enoxy(diphenyl)methyl]benzene
CID 172817739
[diphenyl(4-prop-2-enoxybutoxy)methyl]benzene
CID 11462923

Frequently Asked Questions

What is the IUPAC name of [3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecachlorodecoxy(diphenyl)methyl]benzene?
The IUPAC name of [3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecachlorodecoxy(diphenyl)methyl]benzene (CID 57017434) is [3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecachlorodecoxy(diphenyl)methyl]benzene.
What is the SMILES notation for [3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecachlorodecoxy(diphenyl)methyl]benzene?
The canonical SMILES for [3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecachlorodecoxy(diphenyl)methyl]benzene is ClC(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)CCOC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecachlorodecoxy(diphenyl)methyl]benzene?
The InChIKey is RWUNIWQVUBBIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19Cl17O/c30-21(31,23(32,33)24(34,35)25(36,37)26(38,39)27(40,41)28(42,43)29(44,45)46)16-17-47-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2.
What are the key properties of [3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecachlorodecoxy(diphenyl)methyl]benzene?
[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecachlorodecoxy(diphenyl)methyl]benzene has a molecular weight of 986.17 g/mol, XLogP of 14.97, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecachlorodecoxy(diphenyl)methyl]benzene is sourced from PubChem (CID 57017434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).