hexahelicen-3-yl(diphenyl)phosphane

C38H25P — CID 11730940

IUPAChexahelicen-3-yl(diphenyl)phosphane
SMILESc1ccc(P(c2ccccc2)c2ccc3c(ccc4ccc5ccc6ccc7ccccc7c6c5c43)c2)cc1
InChIInChI=1S/C38H25P/c1-3-10-31(11-4-1)39(32-12-5-2-6-13-32)33-23-24-35-30(25-33)22-21-28-18-20-29-19-17-27-16-15-26-9-7-8-14-34(26)36(27)38(29)37(28)35/h1-25H
InChIKeyYEYXNOLZBTVFNI-UHFFFAOYSA-N
MW512.59 g/mol
LogP9.21
Rot. Bonds3

About hexahelicen-3-yl(diphenyl)phosphane

hexahelicen-3-yl(diphenyl)phosphane (PubChem CID 11730940) has the molecular formula C38H25P and a molecular weight of 512.59 g/mol. Its IUPAC name is hexahelicen-3-yl(diphenyl)phosphane.

Molecular Properties

Compound Namehexahelicen-3-yl(diphenyl)phosphane
PubChem CID11730940
Molecular FormulaC38H25P
Molecular Weight512.59 g/mol
Exact Mass512.17
IUPAC Namehexahelicen-3-yl(diphenyl)phosphane
SMILESc1ccc(P(c2ccccc2)c2ccc3c(ccc4ccc5ccc6ccc7ccccc7c6c5c43)c2)cc1
InChIInChI=1S/C38H25P/c1-3-10-31(11-4-1)39(32-12-5-2-6-13-32)33-23-24-35-30(25-33)22-21-28-18-20-29-19-17-27-16-15-26-9-7-8-14-34(26)36(27)38(29)37(28)35/h1-25H
InChIKeyYEYXNOLZBTVFNI-UHFFFAOYSA-N
XLogP9.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.59
LogP ≤ 59.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hexahelicen-3-yl(diphenyl)phosphane?
The IUPAC name of hexahelicen-3-yl(diphenyl)phosphane (CID 11730940) is hexahelicen-3-yl(diphenyl)phosphane.
What is the SMILES notation for hexahelicen-3-yl(diphenyl)phosphane?
The canonical SMILES for hexahelicen-3-yl(diphenyl)phosphane is c1ccc(P(c2ccccc2)c2ccc3c(ccc4ccc5ccc6ccc7ccccc7c6c5c43)c2)cc1.
What is the InChIKey of hexahelicen-3-yl(diphenyl)phosphane?
The InChIKey is YEYXNOLZBTVFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25P/c1-3-10-31(11-4-1)39(32-12-5-2-6-13-32)33-23-24-35-30(25-33)22-21-28-18-20-29-19-17-27-16-15-26-9-7-8-14-34(26)36(27)38(29)37(28)35/h1-25H.
What are the key properties of hexahelicen-3-yl(diphenyl)phosphane?
hexahelicen-3-yl(diphenyl)phosphane has a molecular weight of 512.59 g/mol, XLogP of 9.21, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexahelicen-3-yl(diphenyl)phosphane is sourced from PubChem (CID 11730940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).