(14-methoxyhexahelicen-3-yl)-diphenylphosphane

C39H27OP — CID 102159537

IUPAC(14-methoxyhexahelicen-3-yl)-diphenylphosphane
SMILESCOc1ccc2c(ccc3ccc4ccc5ccc6cc(P(c7ccccc7)c7ccccc7)ccc6c5c4c32)c1
InChIInChI=1S/C39H27OP/c1-40-31-20-22-35-29(24-31)18-16-26-12-14-28-15-13-27-17-19-30-25-34(21-23-36(30)38(27)39(28)37(26)35)41(32-8-4-2-5-9-32)33-10-6-3-7-11-33/h2-25H,1H3
InChIKeyHLGMGXCTKGGLMV-UHFFFAOYSA-N
MW542.62 g/mol
LogP9.22
Rot. Bonds4

About (14-methoxyhexahelicen-3-yl)-diphenylphosphane

(14-methoxyhexahelicen-3-yl)-diphenylphosphane (PubChem CID 102159537) has the molecular formula C39H27OP and a molecular weight of 542.62 g/mol. Its IUPAC name is (14-methoxyhexahelicen-3-yl)-diphenylphosphane.

Molecular Properties

Compound Name(14-methoxyhexahelicen-3-yl)-diphenylphosphane
PubChem CID102159537
Molecular FormulaC39H27OP
Molecular Weight542.62 g/mol
Exact Mass542.18
IUPAC Name(14-methoxyhexahelicen-3-yl)-diphenylphosphane
SMILESCOc1ccc2c(ccc3ccc4ccc5ccc6cc(P(c7ccccc7)c7ccccc7)ccc6c5c4c32)c1
InChIInChI=1S/C39H27OP/c1-40-31-20-22-35-29(24-31)18-16-26-12-14-28-15-13-27-17-19-30-25-34(21-23-36(30)38(27)39(28)37(26)35)41(32-8-4-2-5-9-32)33-10-6-3-7-11-33/h2-25H,1H3
InChIKeyHLGMGXCTKGGLMV-UHFFFAOYSA-N
XLogP9.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.62
LogP ≤ 59.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

hexahelicen-3-yl(diphenyl)phosphane
CID 11730940
[4-[bis(4-methoxyphenyl)methyl]phenyl]-diphenylphosphane
CID 132574561
7,20-dimethoxyhexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene
CID 58411039
nickel;tetrakis(tris(4-methoxyphenyl)phosphane)
CID 161091437
[2-bis(4-methoxyphenyl)phosphanylphenyl]-bis(4-methoxyphenyl)phosphane
CID 87320481
3-methoxy-8-nitrobenzo[c]phenanthrene
CID 10709540
6,25-dimethoxyheptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1(18),2(15),3(12),4(9),5,7,10,13,16,19,21(30),22,24(29),25,27-pentadecaene
CID 122386604
2,3,4,7-tetramethoxyphenanthrene
CID 11437978
dichlororuthenium;tris(4-methoxyphenyl)phosphane
CID 134991883
18-methoxy-3-methyl-3-thioniapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene tetrafluoroborate
CID 23655967
2-methoxy-6-phenylnaphthalene
CID 11253308
[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-(4-methoxyphenyl)-phenylphosphane
CID 177405371

Frequently Asked Questions

What is the IUPAC name of (14-methoxyhexahelicen-3-yl)-diphenylphosphane?
The IUPAC name of (14-methoxyhexahelicen-3-yl)-diphenylphosphane (CID 102159537) is (14-methoxyhexahelicen-3-yl)-diphenylphosphane.
What is the SMILES notation for (14-methoxyhexahelicen-3-yl)-diphenylphosphane?
The canonical SMILES for (14-methoxyhexahelicen-3-yl)-diphenylphosphane is COc1ccc2c(ccc3ccc4ccc5ccc6cc(P(c7ccccc7)c7ccccc7)ccc6c5c4c32)c1.
What is the InChIKey of (14-methoxyhexahelicen-3-yl)-diphenylphosphane?
The InChIKey is HLGMGXCTKGGLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27OP/c1-40-31-20-22-35-29(24-31)18-16-26-12-14-28-15-13-27-17-19-30-25-34(21-23-36(30)38(27)39(28)37(26)35)41(32-8-4-2-5-9-32)33-10-6-3-7-11-33/h2-25H,1H3.
What are the key properties of (14-methoxyhexahelicen-3-yl)-diphenylphosphane?
(14-methoxyhexahelicen-3-yl)-diphenylphosphane has a molecular weight of 542.62 g/mol, XLogP of 9.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (14-methoxyhexahelicen-3-yl)-diphenylphosphane is sourced from PubChem (CID 102159537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).