CID 177441058

C37H18Cl8N — CID 177441058

IUPAC—
SMILESClc1cc(Cl)c([C](c2c(Cl)cc(Cl)cc2Cl)c2c(Cl)cc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)cc2Cl)c(Cl)c1
InChIInChI=1S/C37H18Cl8N/c38-21-13-26(40)34(27(41)14-21)37(35-28(42)15-22(39)16-29(35)43)36-30(44)17-23(18-31(36)45)46-32-9-5-4-8-24(32)25-12-20(10-11-33(25)46)19-6-2-1-3-7-19/h1-18H
InChIKeySCDMNOIHAGQWBX-UHFFFAOYSA-N
MW760.18 g/mol
LogP14.70
Rot. Bonds5

About CID 177441058

CID 177441058 (PubChem CID 177441058) has the molecular formula C37H18Cl8N and a molecular weight of 760.18 g/mol.

Molecular Properties

Compound NameCID 177441058
PubChem CID177441058
Molecular FormulaC37H18Cl8N
Molecular Weight760.18 g/mol
Exact Mass755.89
IUPAC Name—
SMILESClc1cc(Cl)c([C](c2c(Cl)cc(Cl)cc2Cl)c2c(Cl)cc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)cc2Cl)c(Cl)c1
InChIInChI=1S/C37H18Cl8N/c38-21-13-26(40)34(27(41)14-21)37(35-28(42)15-22(39)16-29(35)43)36-30(44)17-23(18-31(36)45)46-32-9-5-4-8-24(32)25-12-20(10-11-33(25)46)19-6-2-1-3-7-19/h1-18H
InChIKeySCDMNOIHAGQWBX-UHFFFAOYSA-N
XLogP14.70
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.18
LogP ≤ 514.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 177441058?
The IUPAC name of CID 177441058 (CID 177441058) is not available.
What is the SMILES notation for CID 177441058?
The canonical SMILES for CID 177441058 is Clc1cc(Cl)c([C](c2c(Cl)cc(Cl)cc2Cl)c2c(Cl)cc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)cc2Cl)c(Cl)c1.
What is the InChIKey of CID 177441058?
The InChIKey is SCDMNOIHAGQWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H18Cl8N/c38-21-13-26(40)34(27(41)14-21)37(35-28(42)15-22(39)16-29(35)43)36-30(44)17-23(18-31(36)45)46-32-9-5-4-8-24(32)25-12-20(10-11-33(25)46)19-6-2-1-3-7-19/h1-18H.
What are the key properties of CID 177441058?
CID 177441058 has a molecular weight of 760.18 g/mol, XLogP of 14.70, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177441058 is sourced from PubChem (CID 177441058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).