3-(3-tert-butyl-5-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenanthro[9,10-b]pyrazine;3-(3-cyclohexyl-5-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenanthro[9,10-b]pyrazine;3-[3-(9,9-dimethylfluoren-2-yl)-5-naphtho[2,1-b][1]benzofuran-8-ylphenyl]phenanthro[9,10-b]pyrazine;3-(3-methyl-5-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenanthro[9,10-b]pyrazine;3-(3-naphtho[2,1-b][1]benzofuran-8-yl-5-phenylphenyl)phenanthro[9,10-b]pyrazine;3-[3-naphtho[2,1-b][1]benzofuran-8-yl-5-(3-phenylphenyl)phenyl]phenanthro[9,10-b]pyrazine

C272H176N12O6 — CID 161421917

About 3-(3-tert-butyl-5-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenanthro[9,10-b]pyrazine;3-(3-cyclohexyl-5-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenanthro[9,10-b]pyrazine;3-[3-(9,9-dimethylfluoren-2-yl)-5-naphtho[2,1-b][1]benzofuran-8-ylphenyl]phenanthro[9,10-b]pyrazine;3-(3-methyl-5-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenanthro[9,10-b]pyrazine;3-(3-naphtho[2,1-b][1]benzofuran-8-yl-5-phenylphenyl)phenanthro[9,10-b]pyrazine;3-[3-naphtho[2,1-b][1]benzofuran-8-yl-5-(3-phenylphenyl)phenyl]phenanthro[9,10-b]pyrazine

3-(3-tert-butyl-5-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenanthro[9,10-b]pyrazine;3-(3-cyclohexyl-5-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenanthro[9,10-b]pyrazine;3-[3-(9,9-dimethylfluoren-2-yl)-5-naphtho[2,1-b][1]benzofuran-8-ylphenyl]phenanthro[9,10-b]pyrazine;3-(3-methyl-5-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenanthro[9,10-b]pyrazine;3-(3-naphtho[2,1-b][1]benzofuran-8-yl-5-phenylphenyl)phenanthro[9,10-b]pyrazine;3-[3-naphtho[2,1-b][1]benzofuran-8-yl-5-(3-phenylphenyl)phenyl]phenanthro[9,10-b]pyrazine (PubChem CID 161421917) has the molecular formula C272H176N12O6 and a molecular weight of 3708.48 g/mol. Its IUPAC name is 3-(3-tert-butyl-5-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenanthro[9,10-b]pyrazine;3-(3-cyclohexyl-5-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenanthro[9,10-b]pyrazine;3-[3-(9,9-dimethylfluoren-2-yl)-5-naphtho[2,1-b][1]benzofuran-8-ylphenyl]phenanthro[9,10-b]pyrazine;3-(3-methyl-5-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenanthro[9,10-b]pyrazine;3-(3-naphtho[2,1-b][1]benzofuran-8-yl-5-phenylphenyl)phenanthro[9,10-b]pyrazine;3-[3-naphtho[2,1-b][1]benzofuran-8-yl-5-(3-phenylphenyl)phenyl]phenanthro[9,10-b]pyrazine.

Molecular Properties

• Compound Name: 3-(3-tert-butyl-5-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenanthro[9,10-b]pyrazine;3-(3-cyclohexyl-5-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenanthro[9,10-b]pyrazine;3-[3-(9,9-dimethylfluoren-2-yl)-5-naphtho[2,1-b][1]benzofuran-8-ylphenyl]phenanthro[9,10-b]pyrazine;3-(3-methyl-5-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenanthro[9,10-b]pyrazine;3-(3-naphtho[2,1-b][1]benzofuran-8-yl-5-phenylphenyl)phenanthro[9,10-b]pyrazine;3-[3-naphtho[2,1-b][1]benzofuran-8-yl-5-(3-phenylphenyl)phenyl]phenanthro[9,10-b]pyrazine
• PubChem CID: 161421917
• Molecular Formula: C272H176N12O6
• Molecular Weight: 3708.48 g/mol
• Exact Mass: 3705.38
• IUPAC Name: 3-(3-tert-butyl-5-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenanthro[9,10-b]pyrazine;3-(3-cyclohexyl-5-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenanthro[9,10-b]pyrazine;3-[3-(9,9-dimethylfluoren-2-yl)-5-naphtho[2,1-b][1]benzofuran-8-ylphenyl]phenanthro[9,10-b]pyrazine;3-(3-methyl-5-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenanthro[9,10-b]pyrazine;3-(3-naphtho[2,1-b][1]benzofuran-8-yl-5-phenylphenyl)phenanthro[9,10-b]pyrazine;3-[3-naphtho[2,1-b][1]benzofuran-8-yl-5-(3-phenylphenyl)phenyl]phenanthro[9,10-b]pyrazine
• SMILES: CC(C)(C)c1cc(-c2cnc3c4ccccc4c4ccccc4c3n2)cc(-c2cccc3c2oc2ccc4ccccc4c23)c1.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4cnc5c6ccccc6c6ccccc6c5n4)cc(-c4cccc5c4oc4ccc6ccccc6c45)c3)cc21.Cc1cc(-c2cnc3c4ccccc4c4ccccc4c3n2)cc(-c2cccc3c2oc2ccc4ccccc4c23)c1.c1ccc(-c2cc(-c3cnc4c5ccccc5c5ccccc5c4n3)cc(-c3cccc4c3oc3ccc5ccccc5c34)c2)cc1.c1ccc(-c2cccc(-c3cc(-c4cnc5c6ccccc6c6ccccc6c5n4)cc(-c4cccc5c4oc4ccc6ccccc6c45)c3)c2)cc1.c1ccc2c(c1)ccc1oc3c(-c4cc(-c5cnc6c7ccccc7c7ccccc7c6n5)cc(C5CCCCC5)c4)cccc3c12
• InChI: InChI=1S/C53H34N2O.C50H30N2O.C44H32N2O.C44H26N2O.C42H30N2O.C39H24N2O/c1-53(2)45-21-10-9-16-40(45)41-24-22-32(29-46(41)53)33-26-34(37-19-11-20-44-49-36-13-4-3-12-31(36)23-25-48(49)56-52(37)44)28-35(27-33)47-30-54-50-42-17-7-5-14-38(42)39-15-6-8-18-43(39)51(50)55-47;1-2-12-31(13-3-1)33-15-10-16-34(26-33)35-27-36(39-22-11-23-44-47-38-17-5-4-14-32(38)24-25-46(47)53-50(39)44)29-37(28-35)45-30-51-48-42-20-8-6-18-40(42)41-19-7-9-21-43(41)49(48)52-45;2*1-2-11-27(12-3-1)29-23-30(33-19-10-20-38-41-32-14-5-4-13-28(32)21-22-40(41)47-44(33)38)25-31(24-29)39-26-45-42-36-17-8-6-15-34(36)35-16-7-9-18-37(35)43(42)46-39;1-42(2,3)28-22-26(30-17-10-18-35-38-29-12-5-4-11-25(29)19-20-37(38)45-41(30)35)21-27(23-28)36-24-43-39-33-15-8-6-13-31(33)32-14-7-9-16-34(32)40(39)44-36;1-23-19-25(28-15-8-16-33-36-27-10-3-2-9-24(27)17-18-35(36)42-39(28)33)21-26(20-23)34-22-40-37-31-13-6-4-11-29(31)30-12-5-7-14-32(30)38(37)41-34/h3-30H,1-2H3;1-30H;4-10,13-27H,1-3,11-12H2;1-26H;4-24H,1-3H3;2-22H,1H3
• InChIKey: VWVOMHBHRSOEAO-UHFFFAOYSA-N
• XLogP: 74.56
• TPSA: 233.52 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 17
• Heavy Atoms: 290
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3708.48
LogP ≤ 5	74.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

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-tert-butyl-5-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenanthro[9,10-b]pyrazine;3-(3-cyclohexyl-5-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenanthro[9,10-b]pyrazine;3-[3-(9,9-dimethylfluoren-2-yl)-5-naphtho[2,1-b][1]benzofuran-8-ylphenyl]phenanthro[9,10-b]pyrazine;3-(3-methyl-5-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenanthro[9,10-b]pyrazine;3-(3-naphtho[2,1-b][1]benzofuran-8-yl-5-phenylphenyl)phenanthro[9,10-b]pyrazine;3-[3-naphtho[2,1-b][1]benzofuran-8-yl-5-(3-phenylphenyl)phenyl]phenanthro[9,10-b]pyrazine?

The IUPAC name of 3-(3-tert-butyl-5-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenanthro[9,10-b]pyrazine;3-(3-cyclohexyl-5-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenanthro[9,10-b]pyrazine;3-[3-(9,9-dimethylfluoren-2-yl)-5-naphtho[2,1-b][1]benzofuran-8-ylphenyl]phenanthro[9,10-b]pyrazine;3-(3-methyl-5-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenanthro[9,10-b]pyrazine;3-(3-naphtho[2,1-b][1]benzofuran-8-yl-5-phenylphenyl)phenanthro[9,10-b]pyrazine;3-[3-naphtho[2,1-b][1]benzofuran-8-yl-5-(3-phenylphenyl)phenyl]phenanthro[9,10-b]pyrazine (CID 161421917) is 3-(3-tert-butyl-5-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenanthro[9,10-b]pyrazine;3-(3-cyclohexyl-5-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenanthro[9,10-b]pyrazine;3-[3-(9,9-dimethylfluoren-2-yl)-5-naphtho[2,1-b][1]benzofuran-8-ylphenyl]phenanthro[9,10-b]pyrazine;3-(3-methyl-5-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenanthro[9,10-b]pyrazine;3-(3-naphtho[2,1-b][1]benzofuran-8-yl-5-phenylphenyl)phenanthro[9,10-b]pyrazine;3-[3-naphtho[2,1-b][1]benzofuran-8-yl-5-(3-phenylphenyl)phenyl]phenanthro[9,10-b]pyrazine.

What is the SMILES notation for 3-(3-tert-butyl-5-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenanthro[9,10-b]pyrazine;3-(3-cyclohexyl-5-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenanthro[9,10-b]pyrazine;3-[3-(9,9-dimethylfluoren-2-yl)-5-naphtho[2,1-b][1]benzofuran-8-ylphenyl]phenanthro[9,10-b]pyrazine;3-(3-methyl-5-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenanthro[9,10-b]pyrazine;3-(3-naphtho[2,1-b][1]benzofuran-8-yl-5-phenylphenyl)phenanthro[9,10-b]pyrazine;3-[3-naphtho[2,1-b][1]benzofuran-8-yl-5-(3-phenylphenyl)phenyl]phenanthro[9,10-b]pyrazine?

The canonical SMILES for 3-(3-tert-butyl-5-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenanthro[9,10-b]pyrazine;3-(3-cyclohexyl-5-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenanthro[9,10-b]pyrazine;3-[3-(9,9-dimethylfluoren-2-yl)-5-naphtho[2,1-b][1]benzofuran-8-ylphenyl]phenanthro[9,10-b]pyrazine;3-(3-methyl-5-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenanthro[9,10-b]pyrazine;3-(3-naphtho[2,1-b][1]benzofuran-8-yl-5-phenylphenyl)phenanthro[9,10-b]pyrazine;3-[3-naphtho[2,1-b][1]benzofuran-8-yl-5-(3-phenylphenyl)phenyl]phenanthro[9,10-b]pyrazine is CC(C)(C)c1cc(-c2cnc3c4ccccc4c4ccccc4c3n2)cc(-c2cccc3c2oc2ccc4ccccc4c23)c1.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4cnc5c6ccccc6c6ccccc6c5n4)cc(-c4cccc5c4oc4ccc6ccccc6c45)c3)cc21.Cc1cc(-c2cnc3c4ccccc4c4ccccc4c3n2)cc(-c2cccc3c2oc2ccc4ccccc4c23)c1.c1ccc(-c2cc(-c3cnc4c5ccccc5c5ccccc5c4n3)cc(-c3cccc4c3oc3ccc5ccccc5c34)c2)cc1.c1ccc(-c2cccc(-c3cc(-c4cnc5c6ccccc6c6ccccc6c5n4)cc(-c4cccc5c4oc4ccc6ccccc6c45)c3)c2)cc1.c1ccc2c(c1)ccc1oc3c(-c4cc(-c5cnc6c7ccccc7c7ccccc7c6n5)cc(C5CCCCC5)c4)cccc3c12.

What is the InChIKey of 3-(3-tert-butyl-5-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenanthro[9,10-b]pyrazine;3-(3-cyclohexyl-5-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenanthro[9,10-b]pyrazine;3-[3-(9,9-dimethylfluoren-2-yl)-5-naphtho[2,1-b][1]benzofuran-8-ylphenyl]phenanthro[9,10-b]pyrazine;3-(3-methyl-5-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenanthro[9,10-b]pyrazine;3-(3-naphtho[2,1-b][1]benzofuran-8-yl-5-phenylphenyl)phenanthro[9,10-b]pyrazine;3-[3-naphtho[2,1-b][1]benzofuran-8-yl-5-(3-phenylphenyl)phenyl]phenanthro[9,10-b]pyrazine?

The InChIKey is VWVOMHBHRSOEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N2O.C50H30N2O.C44H32N2O.C44H26N2O.C42H30N2O.C39H24N2O/c1-53(2)45-21-10-9-16-40(45)41-24-22-32(29-46(41)53)33-26-34(37-19-11-20-44-49-36-13-4-3-12-31(36)23-25-48(49)56-52(37)44)28-35(27-33)47-30-54-50-42-17-7-5-14-38(42)39-15-6-8-18-43(39)51(50)55-47;1-2-12-31(13-3-1)33-15-10-16-34(26-33)35-27-36(39-22-11-23-44-47-38-17-5-4-14-32(38)24-25-46(47)53-50(39)44)29-37(28-35)45-30-51-48-42-20-8-6-18-40(42)41-19-7-9-21-43(41)49(48)52-45;2*1-2-11-27(12-3-1)29-23-30(33-19-10-20-38-41-32-14-5-4-13-28(32)21-22-40(41)47-44(33)38)25-31(24-29)39-26-45-42-36-17-8-6-15-34(36)35-16-7-9-18-37(35)43(42)46-39;1-42(2,3)28-22-26(30-17-10-18-35-38-29-12-5-4-11-25(29)19-20-37(38)45-41(30)35)21-27(23-28)36-24-43-39-33-15-8-6-13-31(33)32-14-7-9-16-34(32)40(39)44-36;1-23-19-25(28-15-8-16-33-36-27-10-3-2-9-24(27)17-18-35(36)42-39(28)33)21-26(20-23)34-22-40-37-31-13-6-4-11-29(31)30-12-5-7-14-32(30)38(37)41-34/h3-30H,1-2H3;1-30H;4-10,13-27H,1-3,11-12H2;1-26H;4-24H,1-3H3;2-22H,1H3.

What are the key properties of 3-(3-tert-butyl-5-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenanthro[9,10-b]pyrazine;3-(3-cyclohexyl-5-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenanthro[9,10-b]pyrazine;3-[3-(9,9-dimethylfluoren-2-yl)-5-naphtho[2,1-b][1]benzofuran-8-ylphenyl]phenanthro[9,10-b]pyrazine;3-(3-methyl-5-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenanthro[9,10-b]pyrazine;3-(3-naphtho[2,1-b][1]benzofuran-8-yl-5-phenylphenyl)phenanthro[9,10-b]pyrazine;3-[3-naphtho[2,1-b][1]benzofuran-8-yl-5-(3-phenylphenyl)phenyl]phenanthro[9,10-b]pyrazine?

3-(3-tert-butyl-5-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenanthro[9,10-b]pyrazine;3-(3-cyclohexyl-5-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenanthro[9,10-b]pyrazine;3-[3-(9,9-dimethylfluoren-2-yl)-5-naphtho[2,1-b][1]benzofuran-8-ylphenyl]phenanthro[9,10-b]pyrazine;3-(3-methyl-5-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenanthro[9,10-b]pyrazine;3-(3-naphtho[2,1-b][1]benzofuran-8-yl-5-phenylphenyl)phenanthro[9,10-b]pyrazine;3-[3-naphtho[2,1-b][1]benzofuran-8-yl-5-(3-phenylphenyl)phenyl]phenanthro[9,10-b]pyrazine has a molecular weight of 3708.48 g/mol, XLogP of 74.56, 17 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-tert-butyl-5-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenanthro[9,10-b]pyrazine;3-(3-cyclohexyl-5-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenanthro[9,10-b]pyrazine;3-[3-(9,9-dimethylfluoren-2-yl)-5-naphtho[2,1-b][1]benzofuran-8-ylphenyl]phenanthro[9,10-b]pyrazine;3-(3-methyl-5-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenanthro[9,10-b]pyrazine;3-(3-naphtho[2,1-b][1]benzofuran-8-yl-5-phenylphenyl)phenanthro[9,10-b]pyrazine;3-[3-naphtho[2,1-b][1]benzofuran-8-yl-5-(3-phenylphenyl)phenyl]phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 161421917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).