3-[3-(6,16-dicyclohexyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-2-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(6,16-dimethyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-2-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-(9,9-dimethylfluoren-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-2-yl]phenyl]phenanthro[9,10-b]pyrazine

C149H102N6O6 — CID 159358759

About 3-[3-(6,16-dicyclohexyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-2-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(6,16-dimethyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-2-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-(9,9-dimethylfluoren-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-2-yl]phenyl]phenanthro[9,10-b]pyrazine

3-[3-(6,16-dicyclohexyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-2-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(6,16-dimethyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-2-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-(9,9-dimethylfluoren-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-2-yl]phenyl]phenanthro[9,10-b]pyrazine (PubChem CID 159358759) has the molecular formula C149H102N6O6 and a molecular weight of 2072.49 g/mol. Its IUPAC name is 3-[3-(6,16-dicyclohexyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-2-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(6,16-dimethyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-2-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-(9,9-dimethylfluoren-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-2-yl]phenyl]phenanthro[9,10-b]pyrazine.

Molecular Properties

• Compound Name: 3-[3-(6,16-dicyclohexyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-2-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(6,16-dimethyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-2-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-(9,9-dimethylfluoren-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-2-yl]phenyl]phenanthro[9,10-b]pyrazine
• PubChem CID: 159358759
• Molecular Formula: C149H102N6O6
• Molecular Weight: 2072.49 g/mol
• Exact Mass: 2070.79
• IUPAC Name: 3-[3-(6,16-dicyclohexyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-2-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(6,16-dimethyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-2-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-(9,9-dimethylfluoren-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-2-yl]phenyl]phenanthro[9,10-b]pyrazine
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3ccc4oc5cc6c(oc7ccccc76)c(-c6cccc(-c7cnc8c9ccccc9c9ccccc9c8n7)c6)c5c4c3)cc21.Cc1ccc2oc3c(-c4cccc(-c5cnc6c7ccccc7c7ccccc7c6n5)c4)c4c(cc3c2c1)oc1ccc(C)cc14.c1cc(-c2cnc3c4ccccc4c4ccccc4c3n2)cc(-c2c3oc4ccc(C5CCCCC5)cc4c3cc3oc4ccc(C5CCCCC5)cc4c23)c1
• InChI: InChI=1S/C55H34N2O2.C52H42N2O2.C42H26N2O2/c1-55(2)44-20-9-7-16-37(44)38-24-22-32(28-45(38)55)31-23-25-48-43(27-31)51-49(58-48)29-42-39-17-8-10-21-47(39)59-54(42)50(51)34-13-11-12-33(26-34)46-30-56-52-40-18-5-3-14-35(40)36-15-4-6-19-41(36)53(52)57-46;1-3-12-31(13-4-1)33-22-24-45-41(27-33)42-29-47-49(43-28-34(23-25-46(43)55-47)32-14-5-2-6-15-32)48(52(42)56-45)36-17-11-16-35(26-36)44-30-53-50-39-20-9-7-18-37(39)38-19-8-10-21-40(38)51(50)54-44;1-23-14-16-35-31(18-23)32-21-37-39(33-19-24(2)15-17-36(33)45-37)38(42(32)46-35)26-9-7-8-25(20-26)34-22-43-40-29-12-5-3-10-27(29)28-11-4-6-13-30(28)41(40)44-34/h3-30H,1-2H3;7-11,16-32H,1-6,12-15H2;3-22H,1-2H3
• InChIKey: LIGJTVWYAWVZID-UHFFFAOYSA-N
• XLogP: 41.89
• TPSA: 156.18 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2072.49
LogP ≤ 5	41.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[3-(6,16-dicyclohexyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-2-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(6,16-dimethyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-2-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-(9,9-dimethylfluoren-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-2-yl]phenyl]phenanthro[9,10-b]pyrazine?

The IUPAC name of 3-[3-(6,16-dicyclohexyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-2-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(6,16-dimethyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-2-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-(9,9-dimethylfluoren-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-2-yl]phenyl]phenanthro[9,10-b]pyrazine (CID 159358759) is 3-[3-(6,16-dicyclohexyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-2-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(6,16-dimethyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-2-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-(9,9-dimethylfluoren-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-2-yl]phenyl]phenanthro[9,10-b]pyrazine.

What is the SMILES notation for 3-[3-(6,16-dicyclohexyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-2-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(6,16-dimethyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-2-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-(9,9-dimethylfluoren-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-2-yl]phenyl]phenanthro[9,10-b]pyrazine?

The canonical SMILES for 3-[3-(6,16-dicyclohexyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-2-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(6,16-dimethyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-2-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-(9,9-dimethylfluoren-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-2-yl]phenyl]phenanthro[9,10-b]pyrazine is CC1(C)c2ccccc2-c2ccc(-c3ccc4oc5cc6c(oc7ccccc76)c(-c6cccc(-c7cnc8c9ccccc9c9ccccc9c8n7)c6)c5c4c3)cc21.Cc1ccc2oc3c(-c4cccc(-c5cnc6c7ccccc7c7ccccc7c6n5)c4)c4c(cc3c2c1)oc1ccc(C)cc14.c1cc(-c2cnc3c4ccccc4c4ccccc4c3n2)cc(-c2c3oc4ccc(C5CCCCC5)cc4c3cc3oc4ccc(C5CCCCC5)cc4c23)c1.

What is the InChIKey of 3-[3-(6,16-dicyclohexyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-2-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(6,16-dimethyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-2-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-(9,9-dimethylfluoren-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-2-yl]phenyl]phenanthro[9,10-b]pyrazine?

The InChIKey is LIGJTVWYAWVZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N2O2.C52H42N2O2.C42H26N2O2/c1-55(2)44-20-9-7-16-37(44)38-24-22-32(28-45(38)55)31-23-25-48-43(27-31)51-49(58-48)29-42-39-17-8-10-21-47(39)59-54(42)50(51)34-13-11-12-33(26-34)46-30-56-52-40-18-5-3-14-35(40)36-15-4-6-19-41(36)53(52)57-46;1-3-12-31(13-4-1)33-22-24-45-41(27-33)42-29-47-49(43-28-34(23-25-46(43)55-47)32-14-5-2-6-15-32)48(52(42)56-45)36-17-11-16-35(26-36)44-30-53-50-39-20-9-7-18-37(39)38-19-8-10-21-40(38)51(50)54-44;1-23-14-16-35-31(18-23)32-21-37-39(33-19-24(2)15-17-36(33)45-37)38(42(32)46-35)26-9-7-8-25(20-26)34-22-43-40-29-12-5-3-10-27(29)28-11-4-6-13-30(28)41(40)44-34/h3-30H,1-2H3;7-11,16-32H,1-6,12-15H2;3-22H,1-2H3.

What are the key properties of 3-[3-(6,16-dicyclohexyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-2-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(6,16-dimethyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-2-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-(9,9-dimethylfluoren-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-2-yl]phenyl]phenanthro[9,10-b]pyrazine?

3-[3-(6,16-dicyclohexyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-2-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(6,16-dimethyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-2-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-(9,9-dimethylfluoren-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-2-yl]phenyl]phenanthro[9,10-b]pyrazine has a molecular weight of 2072.49 g/mol, XLogP of 41.89, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(6,16-dicyclohexyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-2-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(6,16-dimethyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-2-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-(9,9-dimethylfluoren-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-2-yl]phenyl]phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 159358759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).