4-dinaphthalen-2-ylphosphoryl-2,9-diazaheptacyclo[19.8.0.02,10.03,8.011,20.012,17.023,28]nonacosa-1(29),3(8),4,6,9,11(20),12,14,16,18,21,23,25,27-tetradecaene;26-[9H-fluoren-3-yl(phenyl)phosphoryl]-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-tetradecaene;29-[naphthalen-1-yl(naphthalen-2-yl)phosphoryl]-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;27-[phenanthren-3-yl(phenyl)phosphoryl]-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-tetradecaene

C187H116N8O4P4 — CID 159251284

IUPAC4-dinaphthalen-2-ylphosphoryl-2,9-diazaheptacyclo[19.8.0.02,10.03,8.011,20.012,17.023,28]nonacosa-1(29),3(8),4,6,9,11(20),12,14,16,18,21,23,25,27-tetradecaene;26-[9H-fluoren-3-yl(phenyl)phosphoryl]-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-tetradecaene;29-[naphthalen-1-yl(naphthalen-2-yl)phosphoryl]-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;27-[phenanthren-3-yl(phenyl)phosphoryl]-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-tetradecaene
SMILESO=P(c1ccc2ccccc2c1)(c1ccc2ccccc2c1)c1cccc2nc3c4c5ccccc5ccc4c4cc5ccccc5cc4n3c12.O=P(c1ccc2ccccc2c1)(c1cccc2ccccc12)c1c2ccccc2cc2c3ccc4ccccc4c3c3nc4ccccc4n3c12.O=P(c1ccccc1)(c1ccc2c(c1)-c1ccccc1C2)c1ccc2cc3c4ccc5ccccc5c4c4nc5ccccc5n4c3cc2c1.O=P(c1ccccc1)(c1ccc2ccc3ccccc3c2c1)c1cccc2cc3c4ccc5ccccc5c4c4nc5ccccc5n4c3cc12
InChIInChI=1S/3C47H29N2OP.C46H29N2OP/c50-51(37-23-20-30-10-1-3-13-33(30)26-37,38-24-21-31-11-2-4-14-34(31)27-38)44-19-9-18-42-46(44)49-43-29-36-16-6-5-15-35(36)28-41(43)40-25-22-32-12-7-8-17-39(32)45(40)47(49)48-42;50-51(35-26-24-30-12-1-2-15-33(30)28-35,43-23-11-17-31-13-3-6-18-36(31)43)46-38-20-8-5-16-34(38)29-40-39-27-25-32-14-4-7-19-37(32)44(39)47-48-41-21-9-10-22-42(41)49(47)45(40)46;50-51(34-14-2-1-3-15-34,35-25-23-32-22-21-30-11-4-6-16-36(30)39(32)28-35)45-20-10-13-33-27-41-38-26-24-31-12-5-7-17-37(31)46(38)47-48-42-18-8-9-19-43(42)49(47)44(41)29-40(33)45;49-50(34-12-2-1-3-13-34,36-22-19-32-24-31-11-5-6-14-37(31)40(32)28-36)35-21-18-30-26-41-39-23-20-29-10-4-7-15-38(29)45(39)46-47-42-16-8-9-17-43(42)48(46)44(41)27-33(30)25-35/h3*1-29H;1-23,25-28H,24H2
InChIKeyKVIFQLJWDSWXSB-UHFFFAOYSA-N
MW2662.93 g/mol
LogP43.45
Rot. Bonds12

About 4-dinaphthalen-2-ylphosphoryl-2,9-diazaheptacyclo[19.8.0.02,10.03,8.011,20.012,17.023,28]nonacosa-1(29),3(8),4,6,9,11(20),12,14,16,18,21,23,25,27-tetradecaene;26-[9H-fluoren-3-yl(phenyl)phosphoryl]-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-tetradecaene;29-[naphthalen-1-yl(naphthalen-2-yl)phosphoryl]-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;27-[phenanthren-3-yl(phenyl)phosphoryl]-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-tetradecaene

4-dinaphthalen-2-ylphosphoryl-2,9-diazaheptacyclo[19.8.0.02,10.03,8.011,20.012,17.023,28]nonacosa-1(29),3(8),4,6,9,11(20),12,14,16,18,21,23,25,27-tetradecaene;26-[9H-fluoren-3-yl(phenyl)phosphoryl]-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-tetradecaene;29-[naphthalen-1-yl(naphthalen-2-yl)phosphoryl]-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;27-[phenanthren-3-yl(phenyl)phosphoryl]-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-tetradecaene (PubChem CID 159251284) has the molecular formula C187H116N8O4P4 and a molecular weight of 2662.93 g/mol. Its IUPAC name is 4-dinaphthalen-2-ylphosphoryl-2,9-diazaheptacyclo[19.8.0.02,10.03,8.011,20.012,17.023,28]nonacosa-1(29),3(8),4,6,9,11(20),12,14,16,18,21,23,25,27-tetradecaene;26-[9H-fluoren-3-yl(phenyl)phosphoryl]-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-tetradecaene;29-[naphthalen-1-yl(naphthalen-2-yl)phosphoryl]-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;27-[phenanthren-3-yl(phenyl)phosphoryl]-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-tetradecaene.

Molecular Properties

Compound Name4-dinaphthalen-2-ylphosphoryl-2,9-diazaheptacyclo[19.8.0.02,10.03,8.011,20.012,17.023,28]nonacosa-1(29),3(8),4,6,9,11(20),12,14,16,18,21,23,25,27-tetradecaene;26-[9H-fluoren-3-yl(phenyl)phosphoryl]-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-tetradecaene;29-[naphthalen-1-yl(naphthalen-2-yl)phosphoryl]-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;27-[phenanthren-3-yl(phenyl)phosphoryl]-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-tetradecaene
PubChem CID159251284
Molecular FormulaC187H116N8O4P4
Molecular Weight2662.93 g/mol
Exact Mass2660.81
IUPAC Name4-dinaphthalen-2-ylphosphoryl-2,9-diazaheptacyclo[19.8.0.02,10.03,8.011,20.012,17.023,28]nonacosa-1(29),3(8),4,6,9,11(20),12,14,16,18,21,23,25,27-tetradecaene;26-[9H-fluoren-3-yl(phenyl)phosphoryl]-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-tetradecaene;29-[naphthalen-1-yl(naphthalen-2-yl)phosphoryl]-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;27-[phenanthren-3-yl(phenyl)phosphoryl]-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-tetradecaene
SMILESO=P(c1ccc2ccccc2c1)(c1ccc2ccccc2c1)c1cccc2nc3c4c5ccccc5ccc4c4cc5ccccc5cc4n3c12.O=P(c1ccc2ccccc2c1)(c1cccc2ccccc12)c1c2ccccc2cc2c3ccc4ccccc4c3c3nc4ccccc4n3c12.O=P(c1ccccc1)(c1ccc2c(c1)-c1ccccc1C2)c1ccc2cc3c4ccc5ccccc5c4c4nc5ccccc5n4c3cc2c1.O=P(c1ccccc1)(c1ccc2ccc3ccccc3c2c1)c1cccc2cc3c4ccc5ccccc5c4c4nc5ccccc5n4c3cc12
InChIInChI=1S/3C47H29N2OP.C46H29N2OP/c50-51(37-23-20-30-10-1-3-13-33(30)26-37,38-24-21-31-11-2-4-14-34(31)27-38)44-19-9-18-42-46(44)49-43-29-36-16-6-5-15-35(36)28-41(43)40-25-22-32-12-7-8-17-39(32)45(40)47(49)48-42;50-51(35-26-24-30-12-1-2-15-33(30)28-35,43-23-11-17-31-13-3-6-18-36(31)43)46-38-20-8-5-16-34(38)29-40-39-27-25-32-14-4-7-19-37(32)44(39)47-48-41-21-9-10-22-42(41)49(47)45(40)46;50-51(34-14-2-1-3-15-34,35-25-23-32-22-21-30-11-4-6-16-36(30)39(32)28-35)45-20-10-13-33-27-41-38-26-24-31-12-5-7-17-37(31)46(38)47-48-42-18-8-9-19-43(42)49(47)44(41)29-40(33)45;49-50(34-12-2-1-3-13-34,36-22-19-32-24-31-11-5-6-14-37(31)40(32)28-36)35-21-18-30-26-41-39-23-20-29-10-4-7-15-38(29)45(39)46-47-42-16-8-9-17-43(42)48(46)44(41)27-33(30)25-35/h3*1-29H;1-23,25-28H,24H2
InChIKeyKVIFQLJWDSWXSB-UHFFFAOYSA-N
XLogP43.45
TPSA137.48 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms203
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002662.93
LogP ≤ 543.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4-dinaphthalen-2-ylphosphoryl-2,9-diazaheptacyclo[19.8.0.02,10.03,8.011,20.012,17.023,28]nonacosa-1(29),3(8),4,6,9,11(20),12,14,16,18,21,23,25,27-tetradecaene;26-[9H-fluoren-3-yl(phenyl)phosphoryl]-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-tetradecaene;29-[naphthalen-1-yl(naphthalen-2-yl)phosphoryl]-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;27-[phenanthren-3-yl(phenyl)phosphoryl]-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-tetradecaene with MolForge

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Related Compounds

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
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
4-(7-dinaphthalen-2-ylphosphorylphenanthren-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 134453885
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[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene
CID 134453877
13-[6-[naphthalen-1-yl(phenyl)phosphoryl]naphthalen-2-yl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene
CID 134453866
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
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
15-[phenanthren-2-yl(phenyl)phosphoryl]-3,10,18-triazahexacyclo[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 134336697
24-[naphthalen-2-yl(phenyl)phosphoryl]-2,9-diazahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),3,5,7,9,11,13,15,18,20(25),21,23-dodecaene
CID 134336637
[6-(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)naphthalen-2-yl]-dinaphthalen-1-yl-sulfanylidene-λ5-phosphane
CID 134459822
[6-(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)naphthalen-2-yl]-diphenyl-sulfanylidene-λ5-phosphane
CID 134453966

Frequently Asked Questions

What is the IUPAC name of 4-dinaphthalen-2-ylphosphoryl-2,9-diazaheptacyclo[19.8.0.02,10.03,8.011,20.012,17.023,28]nonacosa-1(29),3(8),4,6,9,11(20),12,14,16,18,21,23,25,27-tetradecaene;26-[9H-fluoren-3-yl(phenyl)phosphoryl]-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-tetradecaene;29-[naphthalen-1-yl(naphthalen-2-yl)phosphoryl]-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;27-[phenanthren-3-yl(phenyl)phosphoryl]-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-tetradecaene?
The IUPAC name of 4-dinaphthalen-2-ylphosphoryl-2,9-diazaheptacyclo[19.8.0.02,10.03,8.011,20.012,17.023,28]nonacosa-1(29),3(8),4,6,9,11(20),12,14,16,18,21,23,25,27-tetradecaene;26-[9H-fluoren-3-yl(phenyl)phosphoryl]-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-tetradecaene;29-[naphthalen-1-yl(naphthalen-2-yl)phosphoryl]-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;27-[phenanthren-3-yl(phenyl)phosphoryl]-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-tetradecaene (CID 159251284) is 4-dinaphthalen-2-ylphosphoryl-2,9-diazaheptacyclo[19.8.0.02,10.03,8.011,20.012,17.023,28]nonacosa-1(29),3(8),4,6,9,11(20),12,14,16,18,21,23,25,27-tetradecaene;26-[9H-fluoren-3-yl(phenyl)phosphoryl]-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-tetradecaene;29-[naphthalen-1-yl(naphthalen-2-yl)phosphoryl]-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;27-[phenanthren-3-yl(phenyl)phosphoryl]-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-tetradecaene.
What is the SMILES notation for 4-dinaphthalen-2-ylphosphoryl-2,9-diazaheptacyclo[19.8.0.02,10.03,8.011,20.012,17.023,28]nonacosa-1(29),3(8),4,6,9,11(20),12,14,16,18,21,23,25,27-tetradecaene;26-[9H-fluoren-3-yl(phenyl)phosphoryl]-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-tetradecaene;29-[naphthalen-1-yl(naphthalen-2-yl)phosphoryl]-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;27-[phenanthren-3-yl(phenyl)phosphoryl]-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-tetradecaene?
The canonical SMILES for 4-dinaphthalen-2-ylphosphoryl-2,9-diazaheptacyclo[19.8.0.02,10.03,8.011,20.012,17.023,28]nonacosa-1(29),3(8),4,6,9,11(20),12,14,16,18,21,23,25,27-tetradecaene;26-[9H-fluoren-3-yl(phenyl)phosphoryl]-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-tetradecaene;29-[naphthalen-1-yl(naphthalen-2-yl)phosphoryl]-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;27-[phenanthren-3-yl(phenyl)phosphoryl]-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-tetradecaene is O=P(c1ccc2ccccc2c1)(c1ccc2ccccc2c1)c1cccc2nc3c4c5ccccc5ccc4c4cc5ccccc5cc4n3c12.O=P(c1ccc2ccccc2c1)(c1cccc2ccccc12)c1c2ccccc2cc2c3ccc4ccccc4c3c3nc4ccccc4n3c12.O=P(c1ccccc1)(c1ccc2c(c1)-c1ccccc1C2)c1ccc2cc3c4ccc5ccccc5c4c4nc5ccccc5n4c3cc2c1.O=P(c1ccccc1)(c1ccc2ccc3ccccc3c2c1)c1cccc2cc3c4ccc5ccccc5c4c4nc5ccccc5n4c3cc12.
What is the InChIKey of 4-dinaphthalen-2-ylphosphoryl-2,9-diazaheptacyclo[19.8.0.02,10.03,8.011,20.012,17.023,28]nonacosa-1(29),3(8),4,6,9,11(20),12,14,16,18,21,23,25,27-tetradecaene;26-[9H-fluoren-3-yl(phenyl)phosphoryl]-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-tetradecaene;29-[naphthalen-1-yl(naphthalen-2-yl)phosphoryl]-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;27-[phenanthren-3-yl(phenyl)phosphoryl]-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-tetradecaene?
The InChIKey is KVIFQLJWDSWXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C47H29N2OP.C46H29N2OP/c50-51(37-23-20-30-10-1-3-13-33(30)26-37,38-24-21-31-11-2-4-14-34(31)27-38)44-19-9-18-42-46(44)49-43-29-36-16-6-5-15-35(36)28-41(43)40-25-22-32-12-7-8-17-39(32)45(40)47(49)48-42;50-51(35-26-24-30-12-1-2-15-33(30)28-35,43-23-11-17-31-13-3-6-18-36(31)43)46-38-20-8-5-16-34(38)29-40-39-27-25-32-14-4-7-19-37(32)44(39)47-48-41-21-9-10-22-42(41)49(47)45(40)46;50-51(34-14-2-1-3-15-34,35-25-23-32-22-21-30-11-4-6-16-36(30)39(32)28-35)45-20-10-13-33-27-41-38-26-24-31-12-5-7-17-37(31)46(38)47-48-42-18-8-9-19-43(42)49(47)44(41)29-40(33)45;49-50(34-12-2-1-3-13-34,36-22-19-32-24-31-11-5-6-14-37(31)40(32)28-36)35-21-18-30-26-41-39-23-20-29-10-4-7-15-38(29)45(39)46-47-42-16-8-9-17-43(42)48(46)44(41)27-33(30)25-35/h3*1-29H;1-23,25-28H,24H2.
What are the key properties of 4-dinaphthalen-2-ylphosphoryl-2,9-diazaheptacyclo[19.8.0.02,10.03,8.011,20.012,17.023,28]nonacosa-1(29),3(8),4,6,9,11(20),12,14,16,18,21,23,25,27-tetradecaene;26-[9H-fluoren-3-yl(phenyl)phosphoryl]-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-tetradecaene;29-[naphthalen-1-yl(naphthalen-2-yl)phosphoryl]-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;27-[phenanthren-3-yl(phenyl)phosphoryl]-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-tetradecaene?
4-dinaphthalen-2-ylphosphoryl-2,9-diazaheptacyclo[19.8.0.02,10.03,8.011,20.012,17.023,28]nonacosa-1(29),3(8),4,6,9,11(20),12,14,16,18,21,23,25,27-tetradecaene;26-[9H-fluoren-3-yl(phenyl)phosphoryl]-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-tetradecaene;29-[naphthalen-1-yl(naphthalen-2-yl)phosphoryl]-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;27-[phenanthren-3-yl(phenyl)phosphoryl]-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-tetradecaene has a molecular weight of 2662.93 g/mol, XLogP of 43.45, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dinaphthalen-2-ylphosphoryl-2,9-diazaheptacyclo[19.8.0.02,10.03,8.011,20.012,17.023,28]nonacosa-1(29),3(8),4,6,9,11(20),12,14,16,18,21,23,25,27-tetradecaene;26-[9H-fluoren-3-yl(phenyl)phosphoryl]-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-tetradecaene;29-[naphthalen-1-yl(naphthalen-2-yl)phosphoryl]-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;27-[phenanthren-3-yl(phenyl)phosphoryl]-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-tetradecaene is sourced from PubChem (CID 159251284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).