11a,12-dihydroacenaphthyleno[1,2-b]quinoxalin-9-yl-bis(4-methylphenyl)phosphane

C32H25N2P — CID 144896371

IUPAC11a,12-dihydroacenaphthyleno[1,2-b]quinoxalin-9-yl-bis(4-methylphenyl)phosphane
SMILESCc1ccc(P(C2=CC3=NC4=C(NC3C=C2)c2cccc3cccc4c23)c2ccc(C)cc2)cc1
InChIInChI=1S/C32H25N2P/c1-20-9-13-23(14-10-20)35(24-15-11-21(2)12-16-24)25-17-18-28-29(19-25)34-32-27-8-4-6-22-5-3-7-26(30(22)27)31(32)33-28/h3-19,28,33H,1-2H3
InChIKeyAXYQNUBVRHBGIS-UHFFFAOYSA-N
MW468.54 g/mol
LogP6.60
Rot. Bonds3

About 11a,12-dihydroacenaphthyleno[1,2-b]quinoxalin-9-yl-bis(4-methylphenyl)phosphane

11a,12-dihydroacenaphthyleno[1,2-b]quinoxalin-9-yl-bis(4-methylphenyl)phosphane (PubChem CID 144896371) has the molecular formula C32H25N2P and a molecular weight of 468.54 g/mol. Its IUPAC name is 11a,12-dihydroacenaphthyleno[1,2-b]quinoxalin-9-yl-bis(4-methylphenyl)phosphane.

Molecular Properties

Compound Name11a,12-dihydroacenaphthyleno[1,2-b]quinoxalin-9-yl-bis(4-methylphenyl)phosphane
PubChem CID144896371
Molecular FormulaC32H25N2P
Molecular Weight468.54 g/mol
Exact Mass468.18
IUPAC Name11a,12-dihydroacenaphthyleno[1,2-b]quinoxalin-9-yl-bis(4-methylphenyl)phosphane
SMILESCc1ccc(P(C2=CC3=NC4=C(NC3C=C2)c2cccc3cccc4c23)c2ccc(C)cc2)cc1
InChIInChI=1S/C32H25N2P/c1-20-9-13-23(14-10-20)35(24-15-11-21(2)12-16-24)25-17-18-28-29(19-25)34-32-27-8-4-6-22-5-3-7-26(30(22)27)31(32)33-28/h3-19,28,33H,1-2H3
InChIKeyAXYQNUBVRHBGIS-UHFFFAOYSA-N
XLogP6.60
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.54
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-N,5-N-bis(naphthalen-1-ylmethyl)hexane-2,5-diamine
CID 44458611
(S)-Bis((S)-1-(naphthalen-1-yl)ethyl)amine
CID 10711188
5,21-Bis(4-fluorophenyl)-3,7,19,23-tetrazanonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2(24),3,5,8(18),9,11,13(34),14,16,19,21,25,27,29(33),30-hexadecaene
CID 163899333
(1S)-N-(dinaphthalen-1-ylmethyl)-1-phenylethanamine
CID 10905286
(Z)-N-(anthracen-9-ylmethyl)-4-(anthracen-9-ylmethylimino)pent-2-en-2-amine
CID 139163923
bis((7Z,18Z,28Z)-2,12,14,24,32,33-hexaethyl-6,7,8,18,19,20,27,28,29-nonamethyl-5,9,17,21,26,30-hexazatetracyclo[11.11.7.13,23.111,15]tritriaconta-1(24),2,5,7,11,13,15(33),18,20,23(32),26,28-dodecaene);toluene
CID 168331915
(2Z)-3-methyl-2-[(3-methyl-2,3,4,5-tetrahydro-1H-benzo[g]indol-2-yl)-(2,3,4,5,6-pentafluorophenyl)methylidene]-4,5-dihydrobenzo[g]indole
CID 177490548
1-naphthalen-1-yl-N-(1-naphthalen-1-ylethyl)ethanamine
CID 4384942
(1R)-1-naphthalen-1-yl-N-[(1S)-1-naphthalen-1-ylethyl]ethanamine
CID 10594784
(1R)-1-naphthalen-1-yl-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine
CID 14928692
N-[(1R)-1-naphthalen-1-ylethyl]-7-[(1R)-1-naphthalen-1-ylethyl]iminocyclohepta-1,3,5-trien-1-amine
CID 15066370
N-[(1R)-1-anthracen-9-ylethyl]-7-[(1R)-1-anthracen-9-ylethyl]iminocyclohepta-1,3,5-trien-1-amine
CID 18641520

Frequently Asked Questions

What is the IUPAC name of 11a,12-dihydroacenaphthyleno[1,2-b]quinoxalin-9-yl-bis(4-methylphenyl)phosphane?
The IUPAC name of 11a,12-dihydroacenaphthyleno[1,2-b]quinoxalin-9-yl-bis(4-methylphenyl)phosphane (CID 144896371) is 11a,12-dihydroacenaphthyleno[1,2-b]quinoxalin-9-yl-bis(4-methylphenyl)phosphane.
What is the SMILES notation for 11a,12-dihydroacenaphthyleno[1,2-b]quinoxalin-9-yl-bis(4-methylphenyl)phosphane?
The canonical SMILES for 11a,12-dihydroacenaphthyleno[1,2-b]quinoxalin-9-yl-bis(4-methylphenyl)phosphane is Cc1ccc(P(C2=CC3=NC4=C(NC3C=C2)c2cccc3cccc4c23)c2ccc(C)cc2)cc1.
What is the InChIKey of 11a,12-dihydroacenaphthyleno[1,2-b]quinoxalin-9-yl-bis(4-methylphenyl)phosphane?
The InChIKey is AXYQNUBVRHBGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25N2P/c1-20-9-13-23(14-10-20)35(24-15-11-21(2)12-16-24)25-17-18-28-29(19-25)34-32-27-8-4-6-22-5-3-7-26(30(22)27)31(32)33-28/h3-19,28,33H,1-2H3.
What are the key properties of 11a,12-dihydroacenaphthyleno[1,2-b]quinoxalin-9-yl-bis(4-methylphenyl)phosphane?
11a,12-dihydroacenaphthyleno[1,2-b]quinoxalin-9-yl-bis(4-methylphenyl)phosphane has a molecular weight of 468.54 g/mol, XLogP of 6.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11a,12-dihydroacenaphthyleno[1,2-b]quinoxalin-9-yl-bis(4-methylphenyl)phosphane is sourced from PubChem (CID 144896371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).