[1-[2-(3,5-ditert-butyl-4-methoxyphenyl)naphthalen-1-yl]naphthalen-2-yl]phosphane

C35H37OP — CID 155147385

IUPAC[1-[2-(3,5-ditert-butyl-4-methoxyphenyl)naphthalen-1-yl]naphthalen-2-yl]phosphane
SMILESCOc1c(C(C)(C)C)cc(-c2ccc3ccccc3c2-c2c(P)ccc3ccccc23)cc1C(C)(C)C
InChIInChI=1S/C35H37OP/c1-34(2,3)28-20-24(21-29(33(28)36-7)35(4,5)6)27-18-16-22-12-8-10-14-25(22)31(27)32-26-15-11-9-13-23(26)17-19-30(32)37/h8-21H,37H2,1-7H3
InChIKeyJXGWHBIJTLOMRC-UHFFFAOYSA-N
MW504.65 g/mol
LogP9.43
Rot. Bonds3

About [1-[2-(3,5-ditert-butyl-4-methoxyphenyl)naphthalen-1-yl]naphthalen-2-yl]phosphane

[1-[2-(3,5-ditert-butyl-4-methoxyphenyl)naphthalen-1-yl]naphthalen-2-yl]phosphane (PubChem CID 155147385) has the molecular formula C35H37OP and a molecular weight of 504.65 g/mol. Its IUPAC name is [1-[2-(3,5-ditert-butyl-4-methoxyphenyl)naphthalen-1-yl]naphthalen-2-yl]phosphane.

Molecular Properties

Compound Name[1-[2-(3,5-ditert-butyl-4-methoxyphenyl)naphthalen-1-yl]naphthalen-2-yl]phosphane
PubChem CID155147385
Molecular FormulaC35H37OP
Molecular Weight504.65 g/mol
Exact Mass504.26
IUPAC Name[1-[2-(3,5-ditert-butyl-4-methoxyphenyl)naphthalen-1-yl]naphthalen-2-yl]phosphane
SMILESCOc1c(C(C)(C)C)cc(-c2ccc3ccccc3c2-c2c(P)ccc3ccccc23)cc1C(C)(C)C
InChIInChI=1S/C35H37OP/c1-34(2,3)28-20-24(21-29(33(28)36-7)35(4,5)6)27-18-16-22-12-8-10-14-25(22)31(27)32-26-15-11-9-13-23(26)17-19-30(32)37/h8-21H,37H2,1-7H3
InChIKeyJXGWHBIJTLOMRC-UHFFFAOYSA-N
XLogP9.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.65
LogP ≤ 59.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-1-methoxynaphthalene
CID 169287795
15-tert-butylnonacyclo[16.10.6.02,17.03,14.04,13.05,10.019,28.022,27.029,34]tetratriaconta-1(28),2,4(13),5,7,9,11,14,16,18,20,22,24,26,29,31,33-heptadecaene
CID 123663461
1,2-bis(4-tert-butylphenyl)naphthalene
CID 163894539
chlorogold;[1-(2-phosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane
CID 134946313
(2,6-ditert-butyl-4-methoxyphenyl) 1-naphthalen-1-ylnaphthalene-2-carboxylate
CID 10506037
nonacyclo[30.8.0.02,11.03,8.012,21.015,20.022,31.023,28.035,40]tetraconta-1(32),2(11),3,5,7,9,12(21),13,15,17,19,22(31),23,25,27,29,33,35,37,39-icosaene
CID 15525083
2-naphthalen-2-yl-1-(2-naphthalen-2-ylnaphthalen-1-yl)naphthalene
CID 10744186
1,4-bis[3-(3,5-ditert-butylphenyl)naphthalen-2-yl]-2,3-dimethoxynaphthalene
CID 177454331
1-(2-diphenylphosphorylnaphthalen-1-yl)-2-(4-methoxy-3,5-dimethylphenyl)naphthalene
CID 139840135
2,3-dimethoxyphenanthrene-1,4-dione
CID 14003225
[2,6-ditert-butyl-4-(3,5-ditert-butyl-4-methoxyphenyl)phenyl] benzoate
CID 58805696
2-(4-methoxyphenyl)-1-naphthalen-1-ylnaphthalene
CID 10737250

Frequently Asked Questions

What is the IUPAC name of [1-[2-(3,5-ditert-butyl-4-methoxyphenyl)naphthalen-1-yl]naphthalen-2-yl]phosphane?
The IUPAC name of [1-[2-(3,5-ditert-butyl-4-methoxyphenyl)naphthalen-1-yl]naphthalen-2-yl]phosphane (CID 155147385) is [1-[2-(3,5-ditert-butyl-4-methoxyphenyl)naphthalen-1-yl]naphthalen-2-yl]phosphane.
What is the SMILES notation for [1-[2-(3,5-ditert-butyl-4-methoxyphenyl)naphthalen-1-yl]naphthalen-2-yl]phosphane?
The canonical SMILES for [1-[2-(3,5-ditert-butyl-4-methoxyphenyl)naphthalen-1-yl]naphthalen-2-yl]phosphane is COc1c(C(C)(C)C)cc(-c2ccc3ccccc3c2-c2c(P)ccc3ccccc23)cc1C(C)(C)C.
What is the InChIKey of [1-[2-(3,5-ditert-butyl-4-methoxyphenyl)naphthalen-1-yl]naphthalen-2-yl]phosphane?
The InChIKey is JXGWHBIJTLOMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37OP/c1-34(2,3)28-20-24(21-29(33(28)36-7)35(4,5)6)27-18-16-22-12-8-10-14-25(22)31(27)32-26-15-11-9-13-23(26)17-19-30(32)37/h8-21H,37H2,1-7H3.
What are the key properties of [1-[2-(3,5-ditert-butyl-4-methoxyphenyl)naphthalen-1-yl]naphthalen-2-yl]phosphane?
[1-[2-(3,5-ditert-butyl-4-methoxyphenyl)naphthalen-1-yl]naphthalen-2-yl]phosphane has a molecular weight of 504.65 g/mol, XLogP of 9.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(3,5-ditert-butyl-4-methoxyphenyl)naphthalen-1-yl]naphthalen-2-yl]phosphane is sourced from PubChem (CID 155147385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).