11-(4-phenylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15(20),16,21,23,25-undecaene 14-oxide

C36H26NOP — CID 163894605

IUPAC11-(4-phenylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15(20),16,21,23,25-undecaene 14-oxide
SMILESO=P12C3=C(CCC=C3)c3ccccc3N1c1ccccc1-c1ccc(-c3ccc(-c4ccccc4)cc3)cc12
InChIInChI=1S/C36H26NOP/c38-39-35-17-9-6-14-31(35)29-12-4-7-15-33(29)37(39)34-16-8-5-13-30(34)32-23-22-28(24-36(32)39)27-20-18-26(19-21-27)25-10-2-1-3-11-25/h1-5,7-13,15-24H,6,14H2
InChIKeyQENGVDWMEINLFW-UHFFFAOYSA-N
MW519.58 g/mol
LogP9.82
Rot. Bonds2

About 11-(4-phenylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15(20),16,21,23,25-undecaene 14-oxide

11-(4-phenylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15(20),16,21,23,25-undecaene 14-oxide (PubChem CID 163894605) has the molecular formula C36H26NOP and a molecular weight of 519.58 g/mol. Its IUPAC name is 11-(4-phenylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15(20),16,21,23,25-undecaene 14-oxide.

Molecular Properties

Compound Name11-(4-phenylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15(20),16,21,23,25-undecaene 14-oxide
PubChem CID163894605
Molecular FormulaC36H26NOP
Molecular Weight519.58 g/mol
Exact Mass519.18
IUPAC Name11-(4-phenylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15(20),16,21,23,25-undecaene 14-oxide
SMILESO=P12C3=C(CCC=C3)c3ccccc3N1c1ccccc1-c1ccc(-c3ccc(-c4ccccc4)cc3)cc12
InChIInChI=1S/C36H26NOP/c38-39-35-17-9-6-14-31(35)29-12-4-7-15-33(29)37(39)34-16-8-5-13-30(34)32-23-22-28(24-36(32)39)27-20-18-26(19-21-27)25-10-2-1-3-11-25/h1-5,7-13,15-24H,6,14H2
InChIKeyQENGVDWMEINLFW-UHFFFAOYSA-N
XLogP9.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.58
LogP ≤ 59.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 11-(4-phenylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15(20),16,21,23,25-undecaene 14-oxide with MolForge

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Related Compounds

5-(4-phenylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21,23,25-dodecaene 14-oxide
CID 90070094
5-phenyl-23-pyridin-4-yl-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene 14-oxide
CID 90069774
9-[2-(2-carbazol-9-yl-4-phenylphenyl)phenyl]carbazole
CID 138513637
2-(2-phenylcyclohexa-1,5-dien-1-yl)benzenethiol
CID 170288323
6-(4-phenylphenyl)-5,7-dipyridin-4-ylbenzo[d][1,3,2]benzodiazaphosphepine 6-oxide
CID 58399902
5-[2-(2,4-diphenylphenyl)phenyl]-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,11-dihydroindolo[2,3-b]carbazole
CID 175630031
6-[7-[3-[15-oxo-15-phenyl-14-(4-phenylphenyl)-14-aza-15λ5-phosphatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8(13),9,11,16,18-nonaen-10-yl]phenyl]triphenylen-2-yl]benzo[c][1,2]benzothiazine 5,5-dioxide
CID 166947012
5,6-diphenyl-9-(9-phenylcarbazol-3-yl)benzo[c][1,2]benzazaphosphinine 6-oxide
CID 162698967
N-[4-[4-[2-(2-cyclohexa-1,5-dien-1-yl-6-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 166876411
14-(4-methylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,8,10,12,15,17-octaene
CID 145097128
6-methyl-1,2-dihydrobenzo[c][2,1]benzoxaphosphinine 6-oxide
CID 142425353
11-(4-phenylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaene
CID 90069681

Frequently Asked Questions

What is the IUPAC name of 11-(4-phenylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15(20),16,21,23,25-undecaene 14-oxide?
The IUPAC name of 11-(4-phenylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15(20),16,21,23,25-undecaene 14-oxide (CID 163894605) is 11-(4-phenylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15(20),16,21,23,25-undecaene 14-oxide.
What is the SMILES notation for 11-(4-phenylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15(20),16,21,23,25-undecaene 14-oxide?
The canonical SMILES for 11-(4-phenylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15(20),16,21,23,25-undecaene 14-oxide is O=P12C3=C(CCC=C3)c3ccccc3N1c1ccccc1-c1ccc(-c3ccc(-c4ccccc4)cc3)cc12.
What is the InChIKey of 11-(4-phenylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15(20),16,21,23,25-undecaene 14-oxide?
The InChIKey is QENGVDWMEINLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26NOP/c38-39-35-17-9-6-14-31(35)29-12-4-7-15-33(29)37(39)34-16-8-5-13-30(34)32-23-22-28(24-36(32)39)27-20-18-26(19-21-27)25-10-2-1-3-11-25/h1-5,7-13,15-24H,6,14H2.
What are the key properties of 11-(4-phenylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15(20),16,21,23,25-undecaene 14-oxide?
11-(4-phenylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15(20),16,21,23,25-undecaene 14-oxide has a molecular weight of 519.58 g/mol, XLogP of 9.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-phenylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15(20),16,21,23,25-undecaene 14-oxide is sourced from PubChem (CID 163894605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).