CID 162329550

C27H27IP- — CID 162329550

IUPAC—
SMILESCc1ccc(CCP([IH-])(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H26IP/c1-23-17-19-24(20-18-23)21-22-29(28,25-11-5-2-6-12-25,26-13-7-3-8-14-26)27-15-9-4-10-16-27/h2-20H,21-22H2,1H3/q-1
InChIKeyRVUOTPXLXYDMNP-UHFFFAOYSA-N
MW509.39 g/mol
LogP2.27
Rot. Bonds6

About CID 162329550

CID 162329550 (PubChem CID 162329550) has the molecular formula C27H27IP- and a molecular weight of 509.39 g/mol.

Molecular Properties

Compound NameCID 162329550
PubChem CID162329550
Molecular FormulaC27H27IP-
Molecular Weight509.39 g/mol
Exact Mass509.09
IUPAC Name—
SMILESCc1ccc(CCP([IH-])(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H26IP/c1-23-17-19-24(20-18-23)21-22-29(28,25-11-5-2-6-12-25,26-13-7-3-8-14-26)27-15-9-4-10-16-27/h2-20H,21-22H2,1H3/q-1
InChIKeyRVUOTPXLXYDMNP-UHFFFAOYSA-N
XLogP2.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.39
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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benzene;bis(1,4-xylene)
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1-methyl-4-[2-[4-[4-(4-methylphenyl)butyl]phenyl]ethyl]benzene
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Frequently Asked Questions

What is the IUPAC name of CID 162329550?
The IUPAC name of CID 162329550 (CID 162329550) is not available.
What is the SMILES notation for CID 162329550?
The canonical SMILES for CID 162329550 is Cc1ccc(CCP([IH-])(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of CID 162329550?
The InChIKey is RVUOTPXLXYDMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26IP/c1-23-17-19-24(20-18-23)21-22-29(28,25-11-5-2-6-12-25,26-13-7-3-8-14-26)27-15-9-4-10-16-27/h2-20H,21-22H2,1H3/q-1.
What are the key properties of CID 162329550?
CID 162329550 has a molecular weight of 509.39 g/mol, XLogP of 2.27, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162329550 is sourced from PubChem (CID 162329550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).