10,10-bis(4-methylphenyl)-14-(7-phenothiazin-10-yltriphenylen-2-yl)-21-thia-14-aza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10,10-diethyl-14-(9-phenothiazin-10-ylperylen-3-yl)-21-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-(2,6-dimethyl-10-phenothiazin-10-ylanthracen-9-yl)-10-oxa-21-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene

C163H110N6OS6Si — CID 157490973

About 10,10-bis(4-methylphenyl)-14-(7-phenothiazin-10-yltriphenylen-2-yl)-21-thia-14-aza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10,10-diethyl-14-(9-phenothiazin-10-ylperylen-3-yl)-21-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-(2,6-dimethyl-10-phenothiazin-10-ylanthracen-9-yl)-10-oxa-21-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene

10,10-bis(4-methylphenyl)-14-(7-phenothiazin-10-yltriphenylen-2-yl)-21-thia-14-aza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10,10-diethyl-14-(9-phenothiazin-10-ylperylen-3-yl)-21-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-(2,6-dimethyl-10-phenothiazin-10-ylanthracen-9-yl)-10-oxa-21-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene (PubChem CID 157490973) has the molecular formula C163H110N6OS6Si and a molecular weight of 2389.20 g/mol. Its IUPAC name is 10,10-bis(4-methylphenyl)-14-(7-phenothiazin-10-yltriphenylen-2-yl)-21-thia-14-aza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10,10-diethyl-14-(9-phenothiazin-10-ylperylen-3-yl)-21-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-(2,6-dimethyl-10-phenothiazin-10-ylanthracen-9-yl)-10-oxa-21-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene.

Molecular Properties

• Compound Name: 10,10-bis(4-methylphenyl)-14-(7-phenothiazin-10-yltriphenylen-2-yl)-21-thia-14-aza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10,10-diethyl-14-(9-phenothiazin-10-ylperylen-3-yl)-21-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-(2,6-dimethyl-10-phenothiazin-10-ylanthracen-9-yl)-10-oxa-21-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
• PubChem CID: 157490973
• Molecular Formula: C163H110N6OS6Si
• Molecular Weight: 2389.20 g/mol
• Exact Mass: 2386.68
• IUPAC Name: 10,10-bis(4-methylphenyl)-14-(7-phenothiazin-10-yltriphenylen-2-yl)-21-thia-14-aza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10,10-diethyl-14-(9-phenothiazin-10-ylperylen-3-yl)-21-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-(2,6-dimethyl-10-phenothiazin-10-ylanthracen-9-yl)-10-oxa-21-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
• SMILES: CCC1(CC)c2ccccc2-c2cc3c(cc21)N(c1ccc2c4cccc5c(N6c7ccccc7Sc7ccccc76)ccc(c6cccc1c62)c54)c1ccccc1S3.Cc1ccc([Si]2(c3ccc(C)cc3)c3ccccc3-c3cc4c(cc32)N(c2ccc3c5ccc(N6c7ccccc7Sc7ccccc76)cc5c5ccccc5c3c2)c2ccccc2S4)cc1.Cc1ccc2c(N3c4ccccc4Sc4cc5c(cc43)oc3ccccc35)c3cc(C)ccc3c(N3c4ccccc4Sc4ccccc43)c2c1
• InChI: InChI=1S/C62H42N2S2Si.C55H38N2S2.C46H30N2OS2/c1-39-23-29-43(30-24-39)67(44-31-25-40(2)26-32-44)61-22-12-5-15-49(61)52-37-60-56(38-62(52)67)64(55-18-8-11-21-59(55)66-60)42-28-34-48-47-33-27-41(35-50(47)45-13-3-4-14-46(45)51(48)36-42)63-53-16-6-9-19-57(53)65-58-20-10-7-17-54(58)63;1-3-55(4-2)41-20-6-5-15-33(41)40-31-52-48(32-42(40)55)57(47-23-9-12-26-51(47)59-52)44-30-28-37-34-16-13-18-38-43(29-27-36(53(34)38)35-17-14-19-39(44)54(35)37)56-45-21-7-10-24-49(45)58-50-25-11-8-22-46(50)56;1-27-20-22-31-33(23-27)45(47-35-12-4-8-16-41(35)50-42-17-9-5-13-36(42)47)30-21-19-28(2)24-34(30)46(31)48-37-14-6-10-18-43(37)51-44-25-32-29-11-3-7-15-39(29)49-40(32)26-38(44)48/h3-38H,1-2H3;5-32H,3-4H2,1-2H3;3-26H,1-2H3
• InChIKey: BXGQHJFCGASDMB-UHFFFAOYSA-N
• XLogP: 46.06
• TPSA: 32.58 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2389.20
LogP ≤ 5	46.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10,10-bis(4-methylphenyl)-14-(7-phenothiazin-10-yltriphenylen-2-yl)-21-thia-14-aza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10,10-diethyl-14-(9-phenothiazin-10-ylperylen-3-yl)-21-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-(2,6-dimethyl-10-phenothiazin-10-ylanthracen-9-yl)-10-oxa-21-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?

The IUPAC name of 10,10-bis(4-methylphenyl)-14-(7-phenothiazin-10-yltriphenylen-2-yl)-21-thia-14-aza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10,10-diethyl-14-(9-phenothiazin-10-ylperylen-3-yl)-21-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-(2,6-dimethyl-10-phenothiazin-10-ylanthracen-9-yl)-10-oxa-21-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene (CID 157490973) is 10,10-bis(4-methylphenyl)-14-(7-phenothiazin-10-yltriphenylen-2-yl)-21-thia-14-aza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10,10-diethyl-14-(9-phenothiazin-10-ylperylen-3-yl)-21-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-(2,6-dimethyl-10-phenothiazin-10-ylanthracen-9-yl)-10-oxa-21-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene.

What is the SMILES notation for 10,10-bis(4-methylphenyl)-14-(7-phenothiazin-10-yltriphenylen-2-yl)-21-thia-14-aza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10,10-diethyl-14-(9-phenothiazin-10-ylperylen-3-yl)-21-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-(2,6-dimethyl-10-phenothiazin-10-ylanthracen-9-yl)-10-oxa-21-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?

The canonical SMILES for 10,10-bis(4-methylphenyl)-14-(7-phenothiazin-10-yltriphenylen-2-yl)-21-thia-14-aza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10,10-diethyl-14-(9-phenothiazin-10-ylperylen-3-yl)-21-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-(2,6-dimethyl-10-phenothiazin-10-ylanthracen-9-yl)-10-oxa-21-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene is CCC1(CC)c2ccccc2-c2cc3c(cc21)N(c1ccc2c4cccc5c(N6c7ccccc7Sc7ccccc76)ccc(c6cccc1c62)c54)c1ccccc1S3.Cc1ccc([Si]2(c3ccc(C)cc3)c3ccccc3-c3cc4c(cc32)N(c2ccc3c5ccc(N6c7ccccc7Sc7ccccc76)cc5c5ccccc5c3c2)c2ccccc2S4)cc1.Cc1ccc2c(N3c4ccccc4Sc4cc5c(cc43)oc3ccccc35)c3cc(C)ccc3c(N3c4ccccc4Sc4ccccc43)c2c1.

What is the InChIKey of 10,10-bis(4-methylphenyl)-14-(7-phenothiazin-10-yltriphenylen-2-yl)-21-thia-14-aza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10,10-diethyl-14-(9-phenothiazin-10-ylperylen-3-yl)-21-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-(2,6-dimethyl-10-phenothiazin-10-ylanthracen-9-yl)-10-oxa-21-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?

The InChIKey is BXGQHJFCGASDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H42N2S2Si.C55H38N2S2.C46H30N2OS2/c1-39-23-29-43(30-24-39)67(44-31-25-40(2)26-32-44)61-22-12-5-15-49(61)52-37-60-56(38-62(52)67)64(55-18-8-11-21-59(55)66-60)42-28-34-48-47-33-27-41(35-50(47)45-13-3-4-14-46(45)51(48)36-42)63-53-16-6-9-19-57(53)65-58-20-10-7-17-54(58)63;1-3-55(4-2)41-20-6-5-15-33(41)40-31-52-48(32-42(40)55)57(47-23-9-12-26-51(47)59-52)44-30-28-37-34-16-13-18-38-43(29-27-36(53(34)38)35-17-14-19-39(44)54(35)37)56-45-21-7-10-24-49(45)58-50-25-11-8-22-46(50)56;1-27-20-22-31-33(23-27)45(47-35-12-4-8-16-41(35)50-42-17-9-5-13-36(42)47)30-21-19-28(2)24-34(30)46(31)48-37-14-6-10-18-43(37)51-44-25-32-29-11-3-7-15-39(29)49-40(32)26-38(44)48/h3-38H,1-2H3;5-32H,3-4H2,1-2H3;3-26H,1-2H3.

What are the key properties of 10,10-bis(4-methylphenyl)-14-(7-phenothiazin-10-yltriphenylen-2-yl)-21-thia-14-aza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10,10-diethyl-14-(9-phenothiazin-10-ylperylen-3-yl)-21-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-(2,6-dimethyl-10-phenothiazin-10-ylanthracen-9-yl)-10-oxa-21-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?

10,10-bis(4-methylphenyl)-14-(7-phenothiazin-10-yltriphenylen-2-yl)-21-thia-14-aza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10,10-diethyl-14-(9-phenothiazin-10-ylperylen-3-yl)-21-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-(2,6-dimethyl-10-phenothiazin-10-ylanthracen-9-yl)-10-oxa-21-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene has a molecular weight of 2389.20 g/mol, XLogP of 46.06, 10 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 10,10-bis(4-methylphenyl)-14-(7-phenothiazin-10-yltriphenylen-2-yl)-21-thia-14-aza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;10,10-diethyl-14-(9-phenothiazin-10-ylperylen-3-yl)-21-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-(2,6-dimethyl-10-phenothiazin-10-ylanthracen-9-yl)-10-oxa-21-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene is sourced from PubChem (CID 157490973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).