CID 102408922

C42H19 — CID 102408922

IUPAC—
SMILESC1=C2c3cccc4c3[C]3c5c2c(c2cccc6c7cccc8c9cccc%10c%11cccc-4c%11c3c(c%109)c(c5c26)c78)=CC1
InChIInChI=1S/C42H19/c1-7-19-21-9-2-11-23-25-13-4-15-27-29-17-6-18-30-28-16-5-14-26-24-12-3-10-22-20(8-1)31(19)37-38(32(21)23)40(34(25)27)42(36(29)30)41(35(26)28)39(37)33(22)24/h1-5,7-18H,6H2
InChIKeyPLXLQFNAMUQEPH-UHFFFAOYSA-N
MW523.61 g/mol
LogP10.16
Rot. Bonds

About CID 102408922

CID 102408922 (PubChem CID 102408922) has the molecular formula C42H19 and a molecular weight of 523.61 g/mol.

Molecular Properties

Compound NameCID 102408922
PubChem CID102408922
Molecular FormulaC42H19
Molecular Weight523.61 g/mol
Exact Mass523.15
IUPAC Name—
SMILESC1=C2c3cccc4c3[C]3c5c2c(c2cccc6c7cccc8c9cccc%10c%11cccc-4c%11c3c(c%109)c(c5c26)c78)=CC1
InChIInChI=1S/C42H19/c1-7-19-21-9-2-11-23-25-13-4-15-27-29-17-6-18-30-28-16-5-14-26-24-12-3-10-22-20(8-1)31(19)37-38(32(21)23)40(34(25)27)42(36(29)30)41(35(26)28)39(37)33(22)24/h1-5,7-18H,6H2
InChIKeyPLXLQFNAMUQEPH-UHFFFAOYSA-N
XLogP10.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.61
LogP ≤ 510.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze CID 102408922 with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 102408922?
The IUPAC name of CID 102408922 (CID 102408922) is not available.
What is the SMILES notation for CID 102408922?
The canonical SMILES for CID 102408922 is C1=C2c3cccc4c3[C]3c5c2c(c2cccc6c7cccc8c9cccc%10c%11cccc-4c%11c3c(c%109)c(c5c26)c78)=CC1.
What is the InChIKey of CID 102408922?
The InChIKey is PLXLQFNAMUQEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H19/c1-7-19-21-9-2-11-23-25-13-4-15-27-29-17-6-18-30-28-16-5-14-26-24-12-3-10-22-20(8-1)31(19)37-38(32(21)23)40(34(25)27)42(36(29)30)41(35(26)28)39(37)33(22)24/h1-5,7-18H,6H2.
What are the key properties of CID 102408922?
CID 102408922 has a molecular weight of 523.61 g/mol, XLogP of 10.16, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102408922 is sourced from PubChem (CID 102408922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).