diphenyl-[3-(10-phenyl-3-thia-10-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12,14,16,18-nonaen-7-yl)phenyl]-sulfanylidene-λ5-phosphane;10-(4-diphenylphosphorylphenyl)-3-thia-10-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4,6,8,12,14,16,18-nonaene;diphenyl-[3-(10-pyridin-3-yl-3-thia-10-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12,14,16,18-nonaen-7-yl)phenyl]-sulfanylidene-λ5-phosphane;diphenyl-sulfanylidene-[4-(3-thia-10-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4,6,8,12,14,16,18-nonaen-10-yl)phenyl]-λ5-phosphane

C159H111N5OP4S7 — CID 158413221

About diphenyl-[3-(10-phenyl-3-thia-10-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12,14,16,18-nonaen-7-yl)phenyl]-sulfanylidene-λ5-phosphane;10-(4-diphenylphosphorylphenyl)-3-thia-10-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4,6,8,12,14,16,18-nonaene;diphenyl-[3-(10-pyridin-3-yl-3-thia-10-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12,14,16,18-nonaen-7-yl)phenyl]-sulfanylidene-λ5-phosphane;diphenyl-sulfanylidene-[4-(3-thia-10-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4,6,8,12,14,16,18-nonaen-10-yl)phenyl]-λ5-phosphane

diphenyl-[3-(10-phenyl-3-thia-10-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12,14,16,18-nonaen-7-yl)phenyl]-sulfanylidene-λ5-phosphane;10-(4-diphenylphosphorylphenyl)-3-thia-10-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4,6,8,12,14,16,18-nonaene;diphenyl-[3-(10-pyridin-3-yl-3-thia-10-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12,14,16,18-nonaen-7-yl)phenyl]-sulfanylidene-λ5-phosphane;diphenyl-sulfanylidene-[4-(3-thia-10-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4,6,8,12,14,16,18-nonaen-10-yl)phenyl]-λ5-phosphane (PubChem CID 158413221) has the molecular formula C159H111N5OP4S7 and a molecular weight of 2456.04 g/mol. Its IUPAC name is diphenyl-[3-(10-phenyl-3-thia-10-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12,14,16,18-nonaen-7-yl)phenyl]-sulfanylidene-λ5-phosphane;10-(4-diphenylphosphorylphenyl)-3-thia-10-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4,6,8,12,14,16,18-nonaene;diphenyl-[3-(10-pyridin-3-yl-3-thia-10-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12,14,16,18-nonaen-7-yl)phenyl]-sulfanylidene-λ5-phosphane;diphenyl-sulfanylidene-[4-(3-thia-10-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4,6,8,12,14,16,18-nonaen-10-yl)phenyl]-λ5-phosphane.

Molecular Properties

• Compound Name: diphenyl-[3-(10-phenyl-3-thia-10-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12,14,16,18-nonaen-7-yl)phenyl]-sulfanylidene-λ5-phosphane;10-(4-diphenylphosphorylphenyl)-3-thia-10-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4,6,8,12,14,16,18-nonaene;diphenyl-[3-(10-pyridin-3-yl-3-thia-10-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12,14,16,18-nonaen-7-yl)phenyl]-sulfanylidene-λ5-phosphane;diphenyl-sulfanylidene-[4-(3-thia-10-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4,6,8,12,14,16,18-nonaen-10-yl)phenyl]-λ5-phosphane
• PubChem CID: 158413221
• Molecular Formula: C159H111N5OP4S7
• Molecular Weight: 2456.04 g/mol
• Exact Mass: 2453.58
• IUPAC Name: diphenyl-[3-(10-phenyl-3-thia-10-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12,14,16,18-nonaen-7-yl)phenyl]-sulfanylidene-λ5-phosphane;10-(4-diphenylphosphorylphenyl)-3-thia-10-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4,6,8,12,14,16,18-nonaene;diphenyl-[3-(10-pyridin-3-yl-3-thia-10-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12,14,16,18-nonaen-7-yl)phenyl]-sulfanylidene-λ5-phosphane;diphenyl-sulfanylidene-[4-(3-thia-10-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4,6,8,12,14,16,18-nonaen-10-yl)phenyl]-λ5-phosphane
• SMILES: O=P(c1ccccc1)(c1ccccc1)c1ccc(N2c3ccccc3Sc3c2cc2cccc4c2c3CC=C4)cc1.S=P(c1ccccc1)(c1ccccc1)c1ccc(N2c3ccccc3Sc3c2cc2cccc4c2c3CC=C4)cc1.S=P(c1ccccc1)(c1ccccc1)c1cccc(-c2ccc3c(c2)N(c2ccccc2)c2cc4cccc5c4c(c2S3)CC=C5)c1.S=P(c1ccccc1)(c1ccccc1)c1cccc(-c2ccc3c(c2)N(c2cccnc2)c2cc4cccc5c4c(c2S3)CC=C5)c1
• InChI: InChI=1S/C43H30NPS2.C42H29N2PS2.C37H26NOPS.C37H26NPS2/c46-45(35-19-6-2-7-20-35,36-21-8-3-9-22-36)37-23-11-15-31(27-37)32-25-26-41-39(28-32)44(34-17-4-1-5-18-34)40-29-33-16-10-13-30-14-12-24-38(42(30)33)43(40)47-41;46-45(34-16-3-1-4-17-34,35-18-5-2-6-19-35)36-20-8-13-30(25-36)31-22-23-40-38(26-31)44(33-15-10-24-43-28-33)39-27-32-14-7-11-29-12-9-21-37(41(29)32)42(39)47-40;39-40(29-14-3-1-4-15-29,30-16-5-2-6-17-30)31-23-21-28(22-24-31)38-33-19-7-8-20-35(33)41-37-32-18-10-12-26-11-9-13-27(36(26)32)25-34(37)38;40-39(29-14-3-1-4-15-29,30-16-5-2-6-17-30)31-23-21-28(22-24-31)38-33-19-7-8-20-35(33)41-37-32-18-10-12-26-11-9-13-27(36(26)32)25-34(37)38/h1-23,25-29H,24H2;1-20,22-28H,21H2;2*1-17,19-25H,18H2
• InChIKey: GZOLASCDQGSBEY-UHFFFAOYSA-N
• XLogP: 39.01
• TPSA: 42.92 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 18
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2456.04
LogP ≤ 5	39.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of diphenyl-[3-(10-phenyl-3-thia-10-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12,14,16,18-nonaen-7-yl)phenyl]-sulfanylidene-λ5-phosphane;10-(4-diphenylphosphorylphenyl)-3-thia-10-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4,6,8,12,14,16,18-nonaene;diphenyl-[3-(10-pyridin-3-yl-3-thia-10-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12,14,16,18-nonaen-7-yl)phenyl]-sulfanylidene-λ5-phosphane;diphenyl-sulfanylidene-[4-(3-thia-10-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4,6,8,12,14,16,18-nonaen-10-yl)phenyl]-λ5-phosphane?

The IUPAC name of diphenyl-[3-(10-phenyl-3-thia-10-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12,14,16,18-nonaen-7-yl)phenyl]-sulfanylidene-λ5-phosphane;10-(4-diphenylphosphorylphenyl)-3-thia-10-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4,6,8,12,14,16,18-nonaene;diphenyl-[3-(10-pyridin-3-yl-3-thia-10-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12,14,16,18-nonaen-7-yl)phenyl]-sulfanylidene-λ5-phosphane;diphenyl-sulfanylidene-[4-(3-thia-10-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4,6,8,12,14,16,18-nonaen-10-yl)phenyl]-λ5-phosphane (CID 158413221) is diphenyl-[3-(10-phenyl-3-thia-10-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12,14,16,18-nonaen-7-yl)phenyl]-sulfanylidene-λ5-phosphane;10-(4-diphenylphosphorylphenyl)-3-thia-10-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4,6,8,12,14,16,18-nonaene;diphenyl-[3-(10-pyridin-3-yl-3-thia-10-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12,14,16,18-nonaen-7-yl)phenyl]-sulfanylidene-λ5-phosphane;diphenyl-sulfanylidene-[4-(3-thia-10-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4,6,8,12,14,16,18-nonaen-10-yl)phenyl]-λ5-phosphane.

What is the SMILES notation for diphenyl-[3-(10-phenyl-3-thia-10-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12,14,16,18-nonaen-7-yl)phenyl]-sulfanylidene-λ5-phosphane;10-(4-diphenylphosphorylphenyl)-3-thia-10-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4,6,8,12,14,16,18-nonaene;diphenyl-[3-(10-pyridin-3-yl-3-thia-10-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12,14,16,18-nonaen-7-yl)phenyl]-sulfanylidene-λ5-phosphane;diphenyl-sulfanylidene-[4-(3-thia-10-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4,6,8,12,14,16,18-nonaen-10-yl)phenyl]-λ5-phosphane?

The canonical SMILES for diphenyl-[3-(10-phenyl-3-thia-10-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12,14,16,18-nonaen-7-yl)phenyl]-sulfanylidene-λ5-phosphane;10-(4-diphenylphosphorylphenyl)-3-thia-10-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4,6,8,12,14,16,18-nonaene;diphenyl-[3-(10-pyridin-3-yl-3-thia-10-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12,14,16,18-nonaen-7-yl)phenyl]-sulfanylidene-λ5-phosphane;diphenyl-sulfanylidene-[4-(3-thia-10-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4,6,8,12,14,16,18-nonaen-10-yl)phenyl]-λ5-phosphane is O=P(c1ccccc1)(c1ccccc1)c1ccc(N2c3ccccc3Sc3c2cc2cccc4c2c3CC=C4)cc1.S=P(c1ccccc1)(c1ccccc1)c1ccc(N2c3ccccc3Sc3c2cc2cccc4c2c3CC=C4)cc1.S=P(c1ccccc1)(c1ccccc1)c1cccc(-c2ccc3c(c2)N(c2ccccc2)c2cc4cccc5c4c(c2S3)CC=C5)c1.S=P(c1ccccc1)(c1ccccc1)c1cccc(-c2ccc3c(c2)N(c2cccnc2)c2cc4cccc5c4c(c2S3)CC=C5)c1.

What is the InChIKey of diphenyl-[3-(10-phenyl-3-thia-10-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12,14,16,18-nonaen-7-yl)phenyl]-sulfanylidene-λ5-phosphane;10-(4-diphenylphosphorylphenyl)-3-thia-10-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4,6,8,12,14,16,18-nonaene;diphenyl-[3-(10-pyridin-3-yl-3-thia-10-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12,14,16,18-nonaen-7-yl)phenyl]-sulfanylidene-λ5-phosphane;diphenyl-sulfanylidene-[4-(3-thia-10-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4,6,8,12,14,16,18-nonaen-10-yl)phenyl]-λ5-phosphane?

The InChIKey is GZOLASCDQGSBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30NPS2.C42H29N2PS2.C37H26NOPS.C37H26NPS2/c46-45(35-19-6-2-7-20-35,36-21-8-3-9-22-36)37-23-11-15-31(27-37)32-25-26-41-39(28-32)44(34-17-4-1-5-18-34)40-29-33-16-10-13-30-14-12-24-38(42(30)33)43(40)47-41;46-45(34-16-3-1-4-17-34,35-18-5-2-6-19-35)36-20-8-13-30(25-36)31-22-23-40-38(26-31)44(33-15-10-24-43-28-33)39-27-32-14-7-11-29-12-9-21-37(41(29)32)42(39)47-40;39-40(29-14-3-1-4-15-29,30-16-5-2-6-17-30)31-23-21-28(22-24-31)38-33-19-7-8-20-35(33)41-37-32-18-10-12-26-11-9-13-27(36(26)32)25-34(37)38;40-39(29-14-3-1-4-15-29,30-16-5-2-6-17-30)31-23-21-28(22-24-31)38-33-19-7-8-20-35(33)41-37-32-18-10-12-26-11-9-13-27(36(26)32)25-34(37)38/h1-23,25-29H,24H2;1-20,22-28H,21H2;2*1-17,19-25H,18H2.

What are the key properties of diphenyl-[3-(10-phenyl-3-thia-10-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12,14,16,18-nonaen-7-yl)phenyl]-sulfanylidene-λ5-phosphane;10-(4-diphenylphosphorylphenyl)-3-thia-10-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4,6,8,12,14,16,18-nonaene;diphenyl-[3-(10-pyridin-3-yl-3-thia-10-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12,14,16,18-nonaen-7-yl)phenyl]-sulfanylidene-λ5-phosphane;diphenyl-sulfanylidene-[4-(3-thia-10-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4,6,8,12,14,16,18-nonaen-10-yl)phenyl]-λ5-phosphane?

diphenyl-[3-(10-phenyl-3-thia-10-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12,14,16,18-nonaen-7-yl)phenyl]-sulfanylidene-λ5-phosphane;10-(4-diphenylphosphorylphenyl)-3-thia-10-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4,6,8,12,14,16,18-nonaene;diphenyl-[3-(10-pyridin-3-yl-3-thia-10-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12,14,16,18-nonaen-7-yl)phenyl]-sulfanylidene-λ5-phosphane;diphenyl-sulfanylidene-[4-(3-thia-10-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4,6,8,12,14,16,18-nonaen-10-yl)phenyl]-λ5-phosphane has a molecular weight of 2456.04 g/mol, XLogP of 39.01, 18 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for diphenyl-[3-(10-phenyl-3-thia-10-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12,14,16,18-nonaen-7-yl)phenyl]-sulfanylidene-λ5-phosphane;10-(4-diphenylphosphorylphenyl)-3-thia-10-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4,6,8,12,14,16,18-nonaene;diphenyl-[3-(10-pyridin-3-yl-3-thia-10-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4(9),5,7,12,14,16,18-nonaen-7-yl)phenyl]-sulfanylidene-λ5-phosphane;diphenyl-sulfanylidene-[4-(3-thia-10-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4,6,8,12,14,16,18-nonaen-10-yl)phenyl]-λ5-phosphane is sourced from PubChem (CID 158413221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).