diphenyl-[5-(7-phenyl-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-14-yl)-2-pyridinyl]-sulfanylidene-λ5-phosphane;diphenyl-[6-(7-pyridin-3-yl-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-14-yl)naphthalen-2-yl]-sulfanylidene-λ5-phosphane;[7-(7-naphthalen-1-yl-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaen-14-yl)phenanthren-2-yl]-diphenyl-sulfanylidene-λ5-phosphane

C155H99N8P3S3 — CID 158395558

About diphenyl-[5-(7-phenyl-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-14-yl)-2-pyridinyl]-sulfanylidene-λ5-phosphane;diphenyl-[6-(7-pyridin-3-yl-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-14-yl)naphthalen-2-yl]-sulfanylidene-λ5-phosphane;[7-(7-naphthalen-1-yl-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaen-14-yl)phenanthren-2-yl]-diphenyl-sulfanylidene-λ5-phosphane

diphenyl-[5-(7-phenyl-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-14-yl)-2-pyridinyl]-sulfanylidene-λ5-phosphane;diphenyl-[6-(7-pyridin-3-yl-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-14-yl)naphthalen-2-yl]-sulfanylidene-λ5-phosphane;[7-(7-naphthalen-1-yl-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaen-14-yl)phenanthren-2-yl]-diphenyl-sulfanylidene-λ5-phosphane (PubChem CID 158395558) has the molecular formula C155H99N8P3S3 and a molecular weight of 2262.68 g/mol. Its IUPAC name is diphenyl-[5-(7-phenyl-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-14-yl)-2-pyridinyl]-sulfanylidene-λ5-phosphane;diphenyl-[6-(7-pyridin-3-yl-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-14-yl)naphthalen-2-yl]-sulfanylidene-λ5-phosphane;[7-(7-naphthalen-1-yl-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaen-14-yl)phenanthren-2-yl]-diphenyl-sulfanylidene-λ5-phosphane.

Molecular Properties

• Compound Name: diphenyl-[5-(7-phenyl-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-14-yl)-2-pyridinyl]-sulfanylidene-λ5-phosphane;diphenyl-[6-(7-pyridin-3-yl-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-14-yl)naphthalen-2-yl]-sulfanylidene-λ5-phosphane;[7-(7-naphthalen-1-yl-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaen-14-yl)phenanthren-2-yl]-diphenyl-sulfanylidene-λ5-phosphane
• PubChem CID: 158395558
• Molecular Formula: C155H99N8P3S3
• Molecular Weight: 2262.68 g/mol
• Exact Mass: 2260.64
• IUPAC Name: diphenyl-[5-(7-phenyl-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-14-yl)-2-pyridinyl]-sulfanylidene-λ5-phosphane;diphenyl-[6-(7-pyridin-3-yl-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-14-yl)naphthalen-2-yl]-sulfanylidene-λ5-phosphane;[7-(7-naphthalen-1-yl-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaen-14-yl)phenanthren-2-yl]-diphenyl-sulfanylidene-λ5-phosphane
• SMILES: S=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc3c(c2)c2ccc4ccccc4c2c2nc4ccc(-c5ccccc5)cc4n32)cn1.S=P(c1ccccc1)(c1ccccc1)c1ccc2c(ccc3cc(-c4ccc5c(c4)c4c6ccccc6ccc4c4nc6ccc(-c7cccc8ccccc78)cc6n54)ccc32)c1.S=P(c1ccccc1)(c1ccccc1)c1ccc2cc(-c3ccc4c(c3)c3ccc5ccccc5c3c3nc5ccc(-c6cccnc6)cc5n43)ccc2c1
• InChI: InChI=1S/C59H37N2PS.C50H32N3PS.C46H30N3PS/c63-62(45-15-3-1-4-16-45,46-17-5-2-6-18-46)47-28-31-51-43(35-47)23-22-42-34-40(25-29-50(42)51)41-27-33-56-54(36-41)58-52-20-10-8-13-39(52)24-30-53(58)59-60-55-32-26-44(37-57(55)61(56)59)49-21-11-14-38-12-7-9-19-48(38)49;55-54(40-12-3-1-4-13-40,41-14-5-2-6-15-41)42-23-19-35-28-34(17-18-36(35)29-42)37-22-26-47-45(30-37)44-24-20-33-10-7-8-16-43(33)49(44)50-52-46-25-21-38(31-48(46)53(47)50)39-11-9-27-51-32-39;51-50(36-15-6-2-7-16-36,37-17-8-3-9-18-37)44-27-23-35(30-47-44)33-22-26-42-40(28-33)39-24-20-32-14-10-11-19-38(32)45(39)46-48-41-25-21-34(29-43(41)49(42)46)31-12-4-1-5-13-31/h1-37H;1-32H;1-30H
• InChIKey: GXMQSGJJJYPJCG-UHFFFAOYSA-N
• XLogP: 36.51
• TPSA: 77.68 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 15
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2262.68
LogP ≤ 5	36.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of diphenyl-[5-(7-phenyl-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-14-yl)-2-pyridinyl]-sulfanylidene-λ5-phosphane;diphenyl-[6-(7-pyridin-3-yl-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-14-yl)naphthalen-2-yl]-sulfanylidene-λ5-phosphane;[7-(7-naphthalen-1-yl-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaen-14-yl)phenanthren-2-yl]-diphenyl-sulfanylidene-λ5-phosphane?

The IUPAC name of diphenyl-[5-(7-phenyl-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-14-yl)-2-pyridinyl]-sulfanylidene-λ5-phosphane;diphenyl-[6-(7-pyridin-3-yl-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-14-yl)naphthalen-2-yl]-sulfanylidene-λ5-phosphane;[7-(7-naphthalen-1-yl-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaen-14-yl)phenanthren-2-yl]-diphenyl-sulfanylidene-λ5-phosphane (CID 158395558) is diphenyl-[5-(7-phenyl-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-14-yl)-2-pyridinyl]-sulfanylidene-λ5-phosphane;diphenyl-[6-(7-pyridin-3-yl-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-14-yl)naphthalen-2-yl]-sulfanylidene-λ5-phosphane;[7-(7-naphthalen-1-yl-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaen-14-yl)phenanthren-2-yl]-diphenyl-sulfanylidene-λ5-phosphane.

What is the SMILES notation for diphenyl-[5-(7-phenyl-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-14-yl)-2-pyridinyl]-sulfanylidene-λ5-phosphane;diphenyl-[6-(7-pyridin-3-yl-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-14-yl)naphthalen-2-yl]-sulfanylidene-λ5-phosphane;[7-(7-naphthalen-1-yl-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaen-14-yl)phenanthren-2-yl]-diphenyl-sulfanylidene-λ5-phosphane?

The canonical SMILES for diphenyl-[5-(7-phenyl-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-14-yl)-2-pyridinyl]-sulfanylidene-λ5-phosphane;diphenyl-[6-(7-pyridin-3-yl-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-14-yl)naphthalen-2-yl]-sulfanylidene-λ5-phosphane;[7-(7-naphthalen-1-yl-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaen-14-yl)phenanthren-2-yl]-diphenyl-sulfanylidene-λ5-phosphane is S=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc3c(c2)c2ccc4ccccc4c2c2nc4ccc(-c5ccccc5)cc4n32)cn1.S=P(c1ccccc1)(c1ccccc1)c1ccc2c(ccc3cc(-c4ccc5c(c4)c4c6ccccc6ccc4c4nc6ccc(-c7cccc8ccccc78)cc6n54)ccc32)c1.S=P(c1ccccc1)(c1ccccc1)c1ccc2cc(-c3ccc4c(c3)c3ccc5ccccc5c3c3nc5ccc(-c6cccnc6)cc5n43)ccc2c1.

What is the InChIKey of diphenyl-[5-(7-phenyl-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-14-yl)-2-pyridinyl]-sulfanylidene-λ5-phosphane;diphenyl-[6-(7-pyridin-3-yl-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-14-yl)naphthalen-2-yl]-sulfanylidene-λ5-phosphane;[7-(7-naphthalen-1-yl-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaen-14-yl)phenanthren-2-yl]-diphenyl-sulfanylidene-λ5-phosphane?

The InChIKey is GXMQSGJJJYPJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37N2PS.C50H32N3PS.C46H30N3PS/c63-62(45-15-3-1-4-16-45,46-17-5-2-6-18-46)47-28-31-51-43(35-47)23-22-42-34-40(25-29-50(42)51)41-27-33-56-54(36-41)58-52-20-10-8-13-39(52)24-30-53(58)59-60-55-32-26-44(37-57(55)61(56)59)49-21-11-14-38-12-7-9-19-48(38)49;55-54(40-12-3-1-4-13-40,41-14-5-2-6-15-41)42-23-19-35-28-34(17-18-36(35)29-42)37-22-26-47-45(30-37)44-24-20-33-10-7-8-16-43(33)49(44)50-52-46-25-21-38(31-48(46)53(47)50)39-11-9-27-51-32-39;51-50(36-15-6-2-7-16-36,37-17-8-3-9-18-37)44-27-23-35(30-47-44)33-22-26-42-40(28-33)39-24-20-32-14-10-11-19-38(32)45(39)46-48-41-25-21-34(29-43(41)49(42)46)31-12-4-1-5-13-31/h1-37H;1-32H;1-30H.

What are the key properties of diphenyl-[5-(7-phenyl-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-14-yl)-2-pyridinyl]-sulfanylidene-λ5-phosphane;diphenyl-[6-(7-pyridin-3-yl-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-14-yl)naphthalen-2-yl]-sulfanylidene-λ5-phosphane;[7-(7-naphthalen-1-yl-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaen-14-yl)phenanthren-2-yl]-diphenyl-sulfanylidene-λ5-phosphane?

diphenyl-[5-(7-phenyl-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-14-yl)-2-pyridinyl]-sulfanylidene-λ5-phosphane;diphenyl-[6-(7-pyridin-3-yl-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-14-yl)naphthalen-2-yl]-sulfanylidene-λ5-phosphane;[7-(7-naphthalen-1-yl-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaen-14-yl)phenanthren-2-yl]-diphenyl-sulfanylidene-λ5-phosphane has a molecular weight of 2262.68 g/mol, XLogP of 36.51, 15 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for diphenyl-[5-(7-phenyl-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-14-yl)-2-pyridinyl]-sulfanylidene-λ5-phosphane;diphenyl-[6-(7-pyridin-3-yl-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-14-yl)naphthalen-2-yl]-sulfanylidene-λ5-phosphane;[7-(7-naphthalen-1-yl-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaen-14-yl)phenanthren-2-yl]-diphenyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 158395558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).