[1-(2-cyclobutylquinazolin-4-yl)naphthalen-2-yl]-diphenylphosphane

C34H27N2P — CID 25146331

IUPAC[1-(2-cyclobutylquinazolin-4-yl)naphthalen-2-yl]-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2nc(C3CCC3)nc3ccccc23)cc1
InChIInChI=1S/C34H27N2P/c1-3-15-26(16-4-1)37(27-17-5-2-6-18-27)31-23-22-24-12-7-8-19-28(24)32(31)33-29-20-9-10-21-30(29)35-34(36-33)25-13-11-14-25/h1-10,12,15-23,25H,11,13-14H2
InChIKeyXOHNSCLUGQTACB-UHFFFAOYSA-N
MW494.58 g/mol
LogP7.48
Rot. Bonds5

About [1-(2-cyclobutylquinazolin-4-yl)naphthalen-2-yl]-diphenylphosphane

[1-(2-cyclobutylquinazolin-4-yl)naphthalen-2-yl]-diphenylphosphane (PubChem CID 25146331) has the molecular formula C34H27N2P and a molecular weight of 494.58 g/mol. Its IUPAC name is [1-(2-cyclobutylquinazolin-4-yl)naphthalen-2-yl]-diphenylphosphane.

Molecular Properties

Compound Name[1-(2-cyclobutylquinazolin-4-yl)naphthalen-2-yl]-diphenylphosphane
PubChem CID25146331
Molecular FormulaC34H27N2P
Molecular Weight494.58 g/mol
Exact Mass494.19
IUPAC Name[1-(2-cyclobutylquinazolin-4-yl)naphthalen-2-yl]-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2nc(C3CCC3)nc3ccccc23)cc1
InChIInChI=1S/C34H27N2P/c1-3-15-26(16-4-1)37(27-17-5-2-6-18-27)31-23-22-24-12-7-8-19-28(24)32(31)33-29-20-9-10-21-30(29)35-34(36-33)25-13-11-14-25/h1-10,12,15-23,25H,11,13-14H2
InChIKeyXOHNSCLUGQTACB-UHFFFAOYSA-N
XLogP7.48
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.58
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis([1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane);bis(rhodium);dihydrate
CID 73162021
dichloropalladium;dicyclohexyl(phenyl)phosphane;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane
CID 118856545
N,N-dicyclohexyl-1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-amine
CID 139747462
carbon monoxide;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;rhodium
CID 139254479
[1-(3,6-dimethylpyrazin-2-yl)naphthalen-2-yl]-diphenylphosphane
CID 15430391
diphenyl-[1-(2-phosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane
CID 59732549
[1-[2-(4,5-dihydro-1,3-oxazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane
CID 101172090
[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane
CID 21335175
[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-methyl-phenylphosphane
CID 11981183
diphenyl-[1-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]phosphane
CID 170897364
(1Z,5Z)-cycloocta-1,5-diene;diphenyl-[1-(2-phenylquinazolin-4-yl)naphthalen-2-yl]phosphane;rhodium;trifluoromethanesulfonate
CID 11434458
4-[[1-[2-bis(4-hydroxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-(4-hydroxyphenyl)phosphanyl]phenol
CID 102082604

Frequently Asked Questions

What is the IUPAC name of [1-(2-cyclobutylquinazolin-4-yl)naphthalen-2-yl]-diphenylphosphane?
The IUPAC name of [1-(2-cyclobutylquinazolin-4-yl)naphthalen-2-yl]-diphenylphosphane (CID 25146331) is [1-(2-cyclobutylquinazolin-4-yl)naphthalen-2-yl]-diphenylphosphane.
What is the SMILES notation for [1-(2-cyclobutylquinazolin-4-yl)naphthalen-2-yl]-diphenylphosphane?
The canonical SMILES for [1-(2-cyclobutylquinazolin-4-yl)naphthalen-2-yl]-diphenylphosphane is c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2nc(C3CCC3)nc3ccccc23)cc1.
What is the InChIKey of [1-(2-cyclobutylquinazolin-4-yl)naphthalen-2-yl]-diphenylphosphane?
The InChIKey is XOHNSCLUGQTACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27N2P/c1-3-15-26(16-4-1)37(27-17-5-2-6-18-27)31-23-22-24-12-7-8-19-28(24)32(31)33-29-20-9-10-21-30(29)35-34(36-33)25-13-11-14-25/h1-10,12,15-23,25H,11,13-14H2.
What are the key properties of [1-(2-cyclobutylquinazolin-4-yl)naphthalen-2-yl]-diphenylphosphane?
[1-(2-cyclobutylquinazolin-4-yl)naphthalen-2-yl]-diphenylphosphane has a molecular weight of 494.58 g/mol, XLogP of 7.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-cyclobutylquinazolin-4-yl)naphthalen-2-yl]-diphenylphosphane is sourced from PubChem (CID 25146331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).