3-naphthalen-1-yl-24-phenyl-3-aza-24λ5-phosphahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene 24-oxide

C38H24NOP — CID 121310531

IUPAC3-naphthalen-1-yl-24-phenyl-3-aza-24λ5-phosphahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene 24-oxide
SMILESO=P1(c2ccccc2)c2c(ccc3ccccc23)-c2ccc3c4ccccc4n(-c4cccc5ccccc45)c3c21
InChIInChI=1S/C38H24NOP/c40-41(27-14-2-1-3-15-27)37-29-17-7-5-12-26(29)21-22-32(37)33-24-23-31-30-18-8-9-19-35(30)39(36(31)38(33)41)34-20-10-13-25-11-4-6-16-28(25)34/h1-24H
InChIKeyFZRBOBCQSQOMDE-UHFFFAOYSA-N
MW541.59 g/mol
LogP8.71
Rot. Bonds2

About 3-naphthalen-1-yl-24-phenyl-3-aza-24λ5-phosphahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene 24-oxide

3-naphthalen-1-yl-24-phenyl-3-aza-24λ5-phosphahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene 24-oxide (PubChem CID 121310531) has the molecular formula C38H24NOP and a molecular weight of 541.59 g/mol. Its IUPAC name is 3-naphthalen-1-yl-24-phenyl-3-aza-24λ5-phosphahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene 24-oxide.

Molecular Properties

Compound Name3-naphthalen-1-yl-24-phenyl-3-aza-24λ5-phosphahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene 24-oxide
PubChem CID121310531
Molecular FormulaC38H24NOP
Molecular Weight541.59 g/mol
Exact Mass541.16
IUPAC Name3-naphthalen-1-yl-24-phenyl-3-aza-24λ5-phosphahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene 24-oxide
SMILESO=P1(c2ccccc2)c2c(ccc3ccccc23)-c2ccc3c4ccccc4n(-c4cccc5ccccc45)c3c21
InChIInChI=1S/C38H24NOP/c40-41(27-14-2-1-3-15-27)37-29-17-7-5-12-26(29)21-22-32(37)33-24-23-31-30-18-8-9-19-35(30)39(36(31)38(33)41)34-20-10-13-25-11-4-6-16-28(25)34/h1-24H
InChIKeyFZRBOBCQSQOMDE-UHFFFAOYSA-N
XLogP8.71
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.59
LogP ≤ 58.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-naphthalen-1-yl-24-phenyl-3-aza-24λ5-phosphahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene 24-oxide with MolForge

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Related Compounds

11-naphthalen-1-yl-12-phenylphosphindolo[2,3-a]carbazole 12-oxide
CID 121310385
3-naphthalen-1-yl-14-phenyl-3-aza-14λ5-phosphahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene 14-oxide
CID 121310899
9-naphthalen-1-yl-24-phenyl-9-aza-24λ5-phosphahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene 24-oxide;9-naphthalen-2-yl-24-phenyl-9-aza-24λ5-phosphahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene 24-oxide;24-phenyl-9-(2-phenylphenyl)-9-aza-24λ5-phosphahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene 24-oxide
CID 162037136
9-naphthalen-1-yl-1-(9-naphthalen-1-ylcarbazol-1-yl)carbazole
CID 134507274
12-phenyl-11-(3-phenylphenyl)phosphindolo[2,3-a]carbazole 12-oxide
CID 121310386
4,15,26-triaza-1λ5-phosphadodecacyclo[20.15.2.126,33.02,14.03,11.04,36.05,10.015,39.016,21.025,38.027,32.037,40]tetraconta-2(14),3(11),5,7,9,12,16,18,20,22(39),23,25(38),27,29,31,33(40),34,36-octadecaene 1-oxide
CID 162479655
11-(1,10-phenanthrolin-3-yl)-12-phenylphosphindolo[2,3-a]carbazole 12-oxide
CID 121310442
12-phenyl-11-[4-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]phosphindolo[2,3-a]carbazole 12-oxide
CID 121310471
12-phenyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]phosphindolo[2,3-a]carbazole 12-oxide
CID 121310411
12-phenyl-11-[4-(9-phenylcarbazol-2-yl)phenyl]phosphindolo[2,3-a]carbazole 12-oxide
CID 121310510
6-ethenyl-8-naphthalen-2-yl-11-phenyl-7-[(Z)-prop-1-enyl]-8-aza-11λ5-phosphapentacyclo[10.8.0.02,10.05,9.013,18]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene 11-oxide
CID 134444555
9-naphthalen-1-yl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 135162926

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-yl-24-phenyl-3-aza-24λ5-phosphahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene 24-oxide?
The IUPAC name of 3-naphthalen-1-yl-24-phenyl-3-aza-24λ5-phosphahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene 24-oxide (CID 121310531) is 3-naphthalen-1-yl-24-phenyl-3-aza-24λ5-phosphahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene 24-oxide.
What is the SMILES notation for 3-naphthalen-1-yl-24-phenyl-3-aza-24λ5-phosphahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene 24-oxide?
The canonical SMILES for 3-naphthalen-1-yl-24-phenyl-3-aza-24λ5-phosphahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene 24-oxide is O=P1(c2ccccc2)c2c(ccc3ccccc23)-c2ccc3c4ccccc4n(-c4cccc5ccccc45)c3c21.
What is the InChIKey of 3-naphthalen-1-yl-24-phenyl-3-aza-24λ5-phosphahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene 24-oxide?
The InChIKey is FZRBOBCQSQOMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24NOP/c40-41(27-14-2-1-3-15-27)37-29-17-7-5-12-26(29)21-22-32(37)33-24-23-31-30-18-8-9-19-35(30)39(36(31)38(33)41)34-20-10-13-25-11-4-6-16-28(25)34/h1-24H.
What are the key properties of 3-naphthalen-1-yl-24-phenyl-3-aza-24λ5-phosphahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene 24-oxide?
3-naphthalen-1-yl-24-phenyl-3-aza-24λ5-phosphahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene 24-oxide has a molecular weight of 541.59 g/mol, XLogP of 8.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-yl-24-phenyl-3-aza-24λ5-phosphahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene 24-oxide is sourced from PubChem (CID 121310531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).