CID 177482991

C27H17 — CID 177482991

IUPAC—
SMILESC1=Cc2cccc3cccc(c23)[C]1/C=c1\ccc2cccc3cccc1c32
InChIInChI=1S/C27H17/c1-5-18-9-3-11-24-22(15-13-20(7-1)26(18)24)17-23-16-14-21-8-2-6-19-10-4-12-25(23)27(19)21/h1-17H/b22-17+
InChIKeyABSKEMGVSGEUIG-OQKWZONESA-N
MW341.43 g/mol
LogP6.30
Rot. Bonds1

About CID 177482991

CID 177482991 (PubChem CID 177482991) has the molecular formula C27H17 and a molecular weight of 341.43 g/mol.

Molecular Properties

Compound NameCID 177482991
PubChem CID177482991
Molecular FormulaC27H17
Molecular Weight341.43 g/mol
Exact Mass341.13
IUPAC Name—
SMILESC1=Cc2cccc3cccc(c23)[C]1/C=c1\ccc2cccc3cccc1c32
InChIInChI=1S/C27H17/c1-5-18-9-3-11-24-22(15-13-20(7-1)26(18)24)17-23-16-14-21-8-2-6-19-10-4-12-25(23)27(19)21/h1-17H/b22-17+
InChIKeyABSKEMGVSGEUIG-OQKWZONESA-N
XLogP6.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.43
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze CID 177482991 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

Naphthalene
CID 931
Benzo[a]pyrene
CID 2336
Anthracene
CID 8418
Phenanthrene
CID 995
Pyrene
CID 31423
1-Methylnaphthalene
CID 7002
3-Methylcholanthrene
CID 1674
BENZ(a)ANTHRACENE
CID 5954
7,12-Dimethylbenz(a)anthracene
CID 6001
Benzo(ghi)perylene
CID 9117
Benzo(E)Pyrene
CID 9128
Indeno(1,2,3-cd)pyrene
CID 9131

Frequently Asked Questions

What is the IUPAC name of CID 177482991?
The IUPAC name of CID 177482991 (CID 177482991) is not available.
What is the SMILES notation for CID 177482991?
The canonical SMILES for CID 177482991 is C1=Cc2cccc3cccc(c23)[C]1/C=c1\ccc2cccc3cccc1c32.
What is the InChIKey of CID 177482991?
The InChIKey is ABSKEMGVSGEUIG-OQKWZONESA-N. The full InChI is InChI=1S/C27H17/c1-5-18-9-3-11-24-22(15-13-20(7-1)26(18)24)17-23-16-14-21-8-2-6-19-10-4-12-25(23)27(19)21/h1-17H/b22-17+.
What are the key properties of CID 177482991?
CID 177482991 has a molecular weight of 341.43 g/mol, XLogP of 6.30, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177482991 is sourced from PubChem (CID 177482991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).