6-dinaphthalen-2-ylphosphoryl-13-[naphthalen-2-yl(phenyl)phosphoryl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaene

C59H38N2O2P2 — CID 134336805

IUPAC6-dinaphthalen-2-ylphosphoryl-13-[naphthalen-2-yl(phenyl)phosphoryl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaene
SMILESO=P(c1ccc2ccccc2c1)(c1ccc2ccccc2c1)c1ccc2c(c1)nc1c3c4ccccc4ccc3c3ccc(P(=O)(c4ccccc4)c4ccc5ccccc5c4)cc3n21
InChIInChI=1S/C59H38N2O2P2/c62-64(46-19-2-1-3-20-46,47-26-22-39-12-4-7-16-43(39)34-47)51-29-32-53-54-31-25-42-15-10-11-21-52(42)58(54)59-60-55-37-50(30-33-56(55)61(59)57(53)38-51)65(63,48-27-23-40-13-5-8-17-44(40)35-48)49-28-24-41-14-6-9-18-45(41)36-49/h1-38H
InChIKeyYDEKDUNOBKVLPX-UHFFFAOYSA-N
MW868.91 g/mol
LogP12.69
Rot. Bonds6

About 6-dinaphthalen-2-ylphosphoryl-13-[naphthalen-2-yl(phenyl)phosphoryl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaene

6-dinaphthalen-2-ylphosphoryl-13-[naphthalen-2-yl(phenyl)phosphoryl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaene (PubChem CID 134336805) has the molecular formula C59H38N2O2P2 and a molecular weight of 868.91 g/mol. Its IUPAC name is 6-dinaphthalen-2-ylphosphoryl-13-[naphthalen-2-yl(phenyl)phosphoryl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaene.

Molecular Properties

Compound Name6-dinaphthalen-2-ylphosphoryl-13-[naphthalen-2-yl(phenyl)phosphoryl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaene
PubChem CID134336805
Molecular FormulaC59H38N2O2P2
Molecular Weight868.91 g/mol
Exact Mass868.24
IUPAC Name6-dinaphthalen-2-ylphosphoryl-13-[naphthalen-2-yl(phenyl)phosphoryl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaene
SMILESO=P(c1ccc2ccccc2c1)(c1ccc2ccccc2c1)c1ccc2c(c1)nc1c3c4ccccc4ccc3c3ccc(P(=O)(c4ccccc4)c4ccc5ccccc5c4)cc3n21
InChIInChI=1S/C59H38N2O2P2/c62-64(46-19-2-1-3-20-46,47-26-22-39-12-4-7-16-43(39)34-47)51-29-32-53-54-31-25-42-15-10-11-21-52(42)58(54)59-60-55-37-50(30-33-56(55)61(59)57(53)38-51)65(63,48-27-23-40-13-5-8-17-44(40)35-48)49-28-24-41-14-6-9-18-45(41)36-49/h1-38H
InChIKeyYDEKDUNOBKVLPX-UHFFFAOYSA-N
XLogP12.69
TPSA51.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500868.91
LogP ≤ 512.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6-dinaphthalen-2-ylphosphoryl-13-[naphthalen-2-yl(phenyl)phosphoryl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaene with MolForge

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Related Compounds

[6-[naphthalen-2-yl(phenyl)phosphoryl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaen-13-yl]-diphenyl-sulfanylidene-λ5-phosphane
CID 134336798
6-diphenylphosphoryl-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11,13,15,18,20,22,24-dodecaene
CID 134336545
13-diphenylphosphoryl-6-[naphthalen-2-yl(phenyl)phosphoryl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaene;[6-[naphthalen-2-yl(phenyl)phosphoryl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaen-13-yl]-diphenyl-selanylidene-λ5-phosphane;[6-[naphthalen-2-yl(phenyl)phosphoryl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaen-13-yl]-diphenyl-sulfanylidene-λ5-phosphane
CID 159787963
13-(6-diphenylphosphorylnaphthalen-2-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene
CID 134453877
14-diphenylphosphoryl-2,9-diazaheptacyclo[19.8.0.02,10.03,8.011,20.012,17.023,28]nonacosa-1(29),3,5,7,9,11(20),12(17),13,15,18,21,23,25,27-tetradecaene
CID 134336591
(13-diphenylphosphinoselenoyl-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaen-6-yl)-naphthalen-2-yl-phenyl-sulfanylidene-λ5-phosphane
CID 154586330
14-[naphthalen-1-yl(naphthalen-2-yl)phosphoryl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;12-[naphthalen-2-yl(phenyl)phosphoryl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-[phenanthren-2-yl(phenyl)phosphoryl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;15-[phenyl-(4-phenylphenyl)phosphoryl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene
CID 158423470
4,11-bis(diphenylphosphoryl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene;17-diphenylphosphoryl-11-(4-diphenylphosphorylphenyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaene;11-diphenylphosphoryl-5-[naphthalen-2-yl(phenyl)phosphoryl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene
CID 159309097
4-(6-dinaphthalen-2-ylphosphorylnaphthalen-2-yl)-2,9-diazaheptacyclo[19.8.0.02,10.03,8.011,20.012,17.023,28]nonacosa-1(29),3,5,7,9,11(20),12,14,16,18,21,23,25,27-tetradecaene
CID 163934071
13-(6-diphenylphosphorylnaphthalen-2-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene
CID 134453891
2,9-diazaheptacyclo[19.8.0.02,10.03,8.011,20.012,17.023,28]nonacosa-1(21),3,5,7,9,11(20),12,14,16,18,22,24,26,28-tetradecaen-26-yl-diphenyl-sulfanylidene-λ5-phosphane
CID 134341846
dipyridin-4-yl-[6-[pyridin-3-yl(pyridin-4-yl)phosphinothioyl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaen-13-yl]-sulfanylidene-λ5-phosphane
CID 134341833

Frequently Asked Questions

What is the IUPAC name of 6-dinaphthalen-2-ylphosphoryl-13-[naphthalen-2-yl(phenyl)phosphoryl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaene?
The IUPAC name of 6-dinaphthalen-2-ylphosphoryl-13-[naphthalen-2-yl(phenyl)phosphoryl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaene (CID 134336805) is 6-dinaphthalen-2-ylphosphoryl-13-[naphthalen-2-yl(phenyl)phosphoryl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaene.
What is the SMILES notation for 6-dinaphthalen-2-ylphosphoryl-13-[naphthalen-2-yl(phenyl)phosphoryl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaene?
The canonical SMILES for 6-dinaphthalen-2-ylphosphoryl-13-[naphthalen-2-yl(phenyl)phosphoryl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaene is O=P(c1ccc2ccccc2c1)(c1ccc2ccccc2c1)c1ccc2c(c1)nc1c3c4ccccc4ccc3c3ccc(P(=O)(c4ccccc4)c4ccc5ccccc5c4)cc3n21.
What is the InChIKey of 6-dinaphthalen-2-ylphosphoryl-13-[naphthalen-2-yl(phenyl)phosphoryl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaene?
The InChIKey is YDEKDUNOBKVLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38N2O2P2/c62-64(46-19-2-1-3-20-46,47-26-22-39-12-4-7-16-43(39)34-47)51-29-32-53-54-31-25-42-15-10-11-21-52(42)58(54)59-60-55-37-50(30-33-56(55)61(59)57(53)38-51)65(63,48-27-23-40-13-5-8-17-44(40)35-48)49-28-24-41-14-6-9-18-45(41)36-49/h1-38H.
What are the key properties of 6-dinaphthalen-2-ylphosphoryl-13-[naphthalen-2-yl(phenyl)phosphoryl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaene?
6-dinaphthalen-2-ylphosphoryl-13-[naphthalen-2-yl(phenyl)phosphoryl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaene has a molecular weight of 868.91 g/mol, XLogP of 12.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-dinaphthalen-2-ylphosphoryl-13-[naphthalen-2-yl(phenyl)phosphoryl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaene is sourced from PubChem (CID 134336805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).