bis(1H-indol-2-yl)-(1-naphthalen-1-ylnaphthalen-2-yl)oxyphosphane

C36H25N2OP — CID 175224690

IUPACbis(1H-indol-2-yl)-(1-naphthalen-1-ylnaphthalen-2-yl)oxyphosphane
SMILESc1ccc2[nH]c(P(Oc3ccc4ccccc4c3-c3cccc4ccccc34)c3cc4ccccc4[nH]3)cc2c1
InChIInChI=1S/C36H25N2OP/c1-5-15-28-24(10-1)14-9-17-30(28)36-29-16-6-2-11-25(29)20-21-33(36)39-40(34-22-26-12-3-7-18-31(26)37-34)35-23-27-13-4-8-19-32(27)38-35/h1-23,37-38H
InChIKeyHXGGTDKOEKOPMC-UHFFFAOYSA-N
MW532.58 g/mol
LogP9.05
Rot. Bonds5

About bis(1H-indol-2-yl)-(1-naphthalen-1-ylnaphthalen-2-yl)oxyphosphane

bis(1H-indol-2-yl)-(1-naphthalen-1-ylnaphthalen-2-yl)oxyphosphane (PubChem CID 175224690) has the molecular formula C36H25N2OP and a molecular weight of 532.58 g/mol. Its IUPAC name is bis(1H-indol-2-yl)-(1-naphthalen-1-ylnaphthalen-2-yl)oxyphosphane.

Molecular Properties

Compound Namebis(1H-indol-2-yl)-(1-naphthalen-1-ylnaphthalen-2-yl)oxyphosphane
PubChem CID175224690
Molecular FormulaC36H25N2OP
Molecular Weight532.58 g/mol
Exact Mass532.17
IUPAC Namebis(1H-indol-2-yl)-(1-naphthalen-1-ylnaphthalen-2-yl)oxyphosphane
SMILESc1ccc2[nH]c(P(Oc3ccc4ccccc4c3-c3cccc4ccccc34)c3cc4ccccc4[nH]3)cc2c1
InChIInChI=1S/C36H25N2OP/c1-5-15-28-24(10-1)14-9-17-30(28)36-29-16-6-2-11-25(29)20-21-33(36)39-40(34-22-26-12-3-7-18-31(26)37-34)35-23-27-13-4-8-19-32(27)38-35/h1-23,37-38H
InChIKeyHXGGTDKOEKOPMC-UHFFFAOYSA-N
XLogP9.05
TPSA40.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.58
LogP ≤ 59.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1-naphthalen-1-ylnaphthalen-2-yl)oxy-diphenylphosphane
CID 150565289
methoxy-methyl-(1-naphthalen-1-ylnaphthalen-2-yl)oxyphosphane
CID 143270912
(1-naphthalen-1-ylnaphthalen-2-yl) methanesulfonate
CID 139754686
[1-(2-dimethylphosphanyloxynaphthalen-1-yl)naphthalen-2-yl]oxy-dimethylphosphane
CID 20820418
1,10-dinaphthalen-1-ylanthracene
CID 58645117
2,3-dimethyl-1-naphthalen-1-ylnaphthalene
CID 54572329
15,26-dinaphthalen-1-ylhexacyclo[12.12.0.03,12.04,9.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene
CID 22900021
(1-naphthalen-1-ylnaphthalen-2-yl) 2-methylprop-2-enoate
CID 67218834
2-bromo-1-naphthalen-1-ylnaphthalene
CID 620109
1-(2-dodecan-6-yloxynaphthalen-1-yl)anthracene
CID 151043305
10,18-di(phenanthren-1-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene
CID 146376351
3-ethoxy-1-naphthalen-1-ylnaphthalen-2-ol
CID 151645059

Frequently Asked Questions

What is the IUPAC name of bis(1H-indol-2-yl)-(1-naphthalen-1-ylnaphthalen-2-yl)oxyphosphane?
The IUPAC name of bis(1H-indol-2-yl)-(1-naphthalen-1-ylnaphthalen-2-yl)oxyphosphane (CID 175224690) is bis(1H-indol-2-yl)-(1-naphthalen-1-ylnaphthalen-2-yl)oxyphosphane.
What is the SMILES notation for bis(1H-indol-2-yl)-(1-naphthalen-1-ylnaphthalen-2-yl)oxyphosphane?
The canonical SMILES for bis(1H-indol-2-yl)-(1-naphthalen-1-ylnaphthalen-2-yl)oxyphosphane is c1ccc2[nH]c(P(Oc3ccc4ccccc4c3-c3cccc4ccccc34)c3cc4ccccc4[nH]3)cc2c1.
What is the InChIKey of bis(1H-indol-2-yl)-(1-naphthalen-1-ylnaphthalen-2-yl)oxyphosphane?
The InChIKey is HXGGTDKOEKOPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25N2OP/c1-5-15-28-24(10-1)14-9-17-30(28)36-29-16-6-2-11-25(29)20-21-33(36)39-40(34-22-26-12-3-7-18-31(26)37-34)35-23-27-13-4-8-19-32(27)38-35/h1-23,37-38H.
What are the key properties of bis(1H-indol-2-yl)-(1-naphthalen-1-ylnaphthalen-2-yl)oxyphosphane?
bis(1H-indol-2-yl)-(1-naphthalen-1-ylnaphthalen-2-yl)oxyphosphane has a molecular weight of 532.58 g/mol, XLogP of 9.05, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1H-indol-2-yl)-(1-naphthalen-1-ylnaphthalen-2-yl)oxyphosphane is sourced from PubChem (CID 175224690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).