3-(3-fluoranthen-3-ylphenyl)-3-azaoctacyclo[18.10.1.02,18.04,17.05,10.011,16.021,26.027,31]hentriaconta-1,4(17),5,7,9,11,13,15,18,20(31),21,23,25,27,29-pentadecaene;3-[4-(4-phenylquinazolin-2-yl)phenyl]-3-azaoctacyclo[18.10.1.02,18.04,17.05,10.011,16.021,26.027,31]hentriaconta-1,4(17),5,7,9,11,13,15,18,20(31),21,23,25,27,29-pentadecaene;3-(4-phenylquinazolin-2-yl)-14-thia-3-azaoctacyclo[17.10.1.02,17.04,16.07,15.08,13.020,25.026,30]triaconta-1,4(16),5,7(15),8,10,12,17,19(30),20,22,24,26,28-tetradecaene;3-triphenylen-2-yl-3-azaoctacyclo[18.10.1.02,18.04,17.05,10.011,16.021,26.027,31]hentriaconta-1,4(17),5,7,9,11,13,15,18,20(31),21,23,25,27,29-pentadecaene

C192H108N8S — CID 161154371

About 3-(3-fluoranthen-3-ylphenyl)-3-azaoctacyclo[18.10.1.02,18.04,17.05,10.011,16.021,26.027,31]hentriaconta-1,4(17),5,7,9,11,13,15,18,20(31),21,23,25,27,29-pentadecaene;3-[4-(4-phenylquinazolin-2-yl)phenyl]-3-azaoctacyclo[18.10.1.02,18.04,17.05,10.011,16.021,26.027,31]hentriaconta-1,4(17),5,7,9,11,13,15,18,20(31),21,23,25,27,29-pentadecaene;3-(4-phenylquinazolin-2-yl)-14-thia-3-azaoctacyclo[17.10.1.02,17.04,16.07,15.08,13.020,25.026,30]triaconta-1,4(16),5,7(15),8,10,12,17,19(30),20,22,24,26,28-tetradecaene;3-triphenylen-2-yl-3-azaoctacyclo[18.10.1.02,18.04,17.05,10.011,16.021,26.027,31]hentriaconta-1,4(17),5,7,9,11,13,15,18,20(31),21,23,25,27,29-pentadecaene

3-(3-fluoranthen-3-ylphenyl)-3-azaoctacyclo[18.10.1.02,18.04,17.05,10.011,16.021,26.027,31]hentriaconta-1,4(17),5,7,9,11,13,15,18,20(31),21,23,25,27,29-pentadecaene;3-[4-(4-phenylquinazolin-2-yl)phenyl]-3-azaoctacyclo[18.10.1.02,18.04,17.05,10.011,16.021,26.027,31]hentriaconta-1,4(17),5,7,9,11,13,15,18,20(31),21,23,25,27,29-pentadecaene;3-(4-phenylquinazolin-2-yl)-14-thia-3-azaoctacyclo[17.10.1.02,17.04,16.07,15.08,13.020,25.026,30]triaconta-1,4(16),5,7(15),8,10,12,17,19(30),20,22,24,26,28-tetradecaene;3-triphenylen-2-yl-3-azaoctacyclo[18.10.1.02,18.04,17.05,10.011,16.021,26.027,31]hentriaconta-1,4(17),5,7,9,11,13,15,18,20(31),21,23,25,27,29-pentadecaene (PubChem CID 161154371) has the molecular formula C192H108N8S and a molecular weight of 2559.10 g/mol. Its IUPAC name is 3-(3-fluoranthen-3-ylphenyl)-3-azaoctacyclo[18.10.1.02,18.04,17.05,10.011,16.021,26.027,31]hentriaconta-1,4(17),5,7,9,11,13,15,18,20(31),21,23,25,27,29-pentadecaene;3-[4-(4-phenylquinazolin-2-yl)phenyl]-3-azaoctacyclo[18.10.1.02,18.04,17.05,10.011,16.021,26.027,31]hentriaconta-1,4(17),5,7,9,11,13,15,18,20(31),21,23,25,27,29-pentadecaene;3-(4-phenylquinazolin-2-yl)-14-thia-3-azaoctacyclo[17.10.1.02,17.04,16.07,15.08,13.020,25.026,30]triaconta-1,4(16),5,7(15),8,10,12,17,19(30),20,22,24,26,28-tetradecaene;3-triphenylen-2-yl-3-azaoctacyclo[18.10.1.02,18.04,17.05,10.011,16.021,26.027,31]hentriaconta-1,4(17),5,7,9,11,13,15,18,20(31),21,23,25,27,29-pentadecaene.

Molecular Properties

• Compound Name: 3-(3-fluoranthen-3-ylphenyl)-3-azaoctacyclo[18.10.1.02,18.04,17.05,10.011,16.021,26.027,31]hentriaconta-1,4(17),5,7,9,11,13,15,18,20(31),21,23,25,27,29-pentadecaene;3-[4-(4-phenylquinazolin-2-yl)phenyl]-3-azaoctacyclo[18.10.1.02,18.04,17.05,10.011,16.021,26.027,31]hentriaconta-1,4(17),5,7,9,11,13,15,18,20(31),21,23,25,27,29-pentadecaene;3-(4-phenylquinazolin-2-yl)-14-thia-3-azaoctacyclo[17.10.1.02,17.04,16.07,15.08,13.020,25.026,30]triaconta-1,4(16),5,7(15),8,10,12,17,19(30),20,22,24,26,28-tetradecaene;3-triphenylen-2-yl-3-azaoctacyclo[18.10.1.02,18.04,17.05,10.011,16.021,26.027,31]hentriaconta-1,4(17),5,7,9,11,13,15,18,20(31),21,23,25,27,29-pentadecaene
• PubChem CID: 161154371
• Molecular Formula: C192H108N8S
• Molecular Weight: 2559.10 g/mol
• Exact Mass: 2556.84
• IUPAC Name: 3-(3-fluoranthen-3-ylphenyl)-3-azaoctacyclo[18.10.1.02,18.04,17.05,10.011,16.021,26.027,31]hentriaconta-1,4(17),5,7,9,11,13,15,18,20(31),21,23,25,27,29-pentadecaene;3-[4-(4-phenylquinazolin-2-yl)phenyl]-3-azaoctacyclo[18.10.1.02,18.04,17.05,10.011,16.021,26.027,31]hentriaconta-1,4(17),5,7,9,11,13,15,18,20(31),21,23,25,27,29-pentadecaene;3-(4-phenylquinazolin-2-yl)-14-thia-3-azaoctacyclo[17.10.1.02,17.04,16.07,15.08,13.020,25.026,30]triaconta-1,4(16),5,7(15),8,10,12,17,19(30),20,22,24,26,28-tetradecaene;3-triphenylen-2-yl-3-azaoctacyclo[18.10.1.02,18.04,17.05,10.011,16.021,26.027,31]hentriaconta-1,4(17),5,7,9,11,13,15,18,20(31),21,23,25,27,29-pentadecaene
• SMILES: c1cc(-c2ccc3c4c(cccc24)-c2ccccc2-3)cc(-n2c3c4cccc5c4c(cc3c3c4ccccc4c4ccccc4c32)-c2ccccc2-5)c1.c1ccc(-c2nc(-c3ccc(-n4c5c6cccc7c6c(cc5c5c6ccccc6c6ccccc6c54)-c4ccccc4-7)cc3)nc3ccccc23)cc1.c1ccc(-c2nc(-n3c4ccc5c6ccccc6sc5c4c4cc5c6c(cccc6c43)-c3ccccc3-5)nc3ccccc23)cc1.c1ccc2c(c1)-c1cccc3c1c-2cc1c2c4ccccc4c4ccccc4c2n(-c2ccc4c5ccccc5c5ccccc5c4c2)c31
• InChI: InChI=1S/C52H29N.C50H29N3.C48H27N.C42H23N3S/c1-2-15-34-33(14-1)40-23-10-22-39-32(26-27-43(34)48(39)40)30-12-9-13-31(28-30)53-51-45-25-11-24-41-36-17-3-4-19-38(36)46(49(41)45)29-47(51)50-42-20-7-5-16-35(42)37-18-6-8-21-44(37)52(50)53;1-2-13-30(14-3-1)47-40-21-10-11-24-44(40)51-50(52-47)31-25-27-32(28-26-31)53-48-41-23-12-22-37-34-16-4-5-18-36(34)42(45(37)41)29-43(48)46-38-19-8-6-15-33(38)35-17-7-9-20-39(35)49(46)53;1-2-14-31-29(12-1)30-13-3-5-18-35(30)42-26-28(24-25-37(31)42)49-47-41-23-11-22-38-33-16-4-6-19-36(33)43(45(38)41)27-44(47)46-39-20-9-7-15-32(39)34-17-8-10-21-40(34)48(46)49;1-2-11-24(12-3-1)39-30-16-6-8-19-34(30)43-42(44-39)45-35-22-21-29-27-15-7-9-20-36(27)46-41(29)38(35)33-23-32-26-14-5-4-13-25(26)28-17-10-18-31(37(28)32)40(33)45/h2*1-29H;1-27H;1-23H
• InChIKey: UPCFCSMNHCKJSM-UHFFFAOYSA-N
• XLogP: 52.44
• TPSA: 71.28 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2559.10
LogP ≤ 5	52.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

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-fluoranthen-3-ylphenyl)-3-azaoctacyclo[18.10.1.02,18.04,17.05,10.011,16.021,26.027,31]hentriaconta-1,4(17),5,7,9,11,13,15,18,20(31),21,23,25,27,29-pentadecaene;3-[4-(4-phenylquinazolin-2-yl)phenyl]-3-azaoctacyclo[18.10.1.02,18.04,17.05,10.011,16.021,26.027,31]hentriaconta-1,4(17),5,7,9,11,13,15,18,20(31),21,23,25,27,29-pentadecaene;3-(4-phenylquinazolin-2-yl)-14-thia-3-azaoctacyclo[17.10.1.02,17.04,16.07,15.08,13.020,25.026,30]triaconta-1,4(16),5,7(15),8,10,12,17,19(30),20,22,24,26,28-tetradecaene;3-triphenylen-2-yl-3-azaoctacyclo[18.10.1.02,18.04,17.05,10.011,16.021,26.027,31]hentriaconta-1,4(17),5,7,9,11,13,15,18,20(31),21,23,25,27,29-pentadecaene?

The IUPAC name of 3-(3-fluoranthen-3-ylphenyl)-3-azaoctacyclo[18.10.1.02,18.04,17.05,10.011,16.021,26.027,31]hentriaconta-1,4(17),5,7,9,11,13,15,18,20(31),21,23,25,27,29-pentadecaene;3-[4-(4-phenylquinazolin-2-yl)phenyl]-3-azaoctacyclo[18.10.1.02,18.04,17.05,10.011,16.021,26.027,31]hentriaconta-1,4(17),5,7,9,11,13,15,18,20(31),21,23,25,27,29-pentadecaene;3-(4-phenylquinazolin-2-yl)-14-thia-3-azaoctacyclo[17.10.1.02,17.04,16.07,15.08,13.020,25.026,30]triaconta-1,4(16),5,7(15),8,10,12,17,19(30),20,22,24,26,28-tetradecaene;3-triphenylen-2-yl-3-azaoctacyclo[18.10.1.02,18.04,17.05,10.011,16.021,26.027,31]hentriaconta-1,4(17),5,7,9,11,13,15,18,20(31),21,23,25,27,29-pentadecaene (CID 161154371) is 3-(3-fluoranthen-3-ylphenyl)-3-azaoctacyclo[18.10.1.02,18.04,17.05,10.011,16.021,26.027,31]hentriaconta-1,4(17),5,7,9,11,13,15,18,20(31),21,23,25,27,29-pentadecaene;3-[4-(4-phenylquinazolin-2-yl)phenyl]-3-azaoctacyclo[18.10.1.02,18.04,17.05,10.011,16.021,26.027,31]hentriaconta-1,4(17),5,7,9,11,13,15,18,20(31),21,23,25,27,29-pentadecaene;3-(4-phenylquinazolin-2-yl)-14-thia-3-azaoctacyclo[17.10.1.02,17.04,16.07,15.08,13.020,25.026,30]triaconta-1,4(16),5,7(15),8,10,12,17,19(30),20,22,24,26,28-tetradecaene;3-triphenylen-2-yl-3-azaoctacyclo[18.10.1.02,18.04,17.05,10.011,16.021,26.027,31]hentriaconta-1,4(17),5,7,9,11,13,15,18,20(31),21,23,25,27,29-pentadecaene.

What is the SMILES notation for 3-(3-fluoranthen-3-ylphenyl)-3-azaoctacyclo[18.10.1.02,18.04,17.05,10.011,16.021,26.027,31]hentriaconta-1,4(17),5,7,9,11,13,15,18,20(31),21,23,25,27,29-pentadecaene;3-[4-(4-phenylquinazolin-2-yl)phenyl]-3-azaoctacyclo[18.10.1.02,18.04,17.05,10.011,16.021,26.027,31]hentriaconta-1,4(17),5,7,9,11,13,15,18,20(31),21,23,25,27,29-pentadecaene;3-(4-phenylquinazolin-2-yl)-14-thia-3-azaoctacyclo[17.10.1.02,17.04,16.07,15.08,13.020,25.026,30]triaconta-1,4(16),5,7(15),8,10,12,17,19(30),20,22,24,26,28-tetradecaene;3-triphenylen-2-yl-3-azaoctacyclo[18.10.1.02,18.04,17.05,10.011,16.021,26.027,31]hentriaconta-1,4(17),5,7,9,11,13,15,18,20(31),21,23,25,27,29-pentadecaene?

The canonical SMILES for 3-(3-fluoranthen-3-ylphenyl)-3-azaoctacyclo[18.10.1.02,18.04,17.05,10.011,16.021,26.027,31]hentriaconta-1,4(17),5,7,9,11,13,15,18,20(31),21,23,25,27,29-pentadecaene;3-[4-(4-phenylquinazolin-2-yl)phenyl]-3-azaoctacyclo[18.10.1.02,18.04,17.05,10.011,16.021,26.027,31]hentriaconta-1,4(17),5,7,9,11,13,15,18,20(31),21,23,25,27,29-pentadecaene;3-(4-phenylquinazolin-2-yl)-14-thia-3-azaoctacyclo[17.10.1.02,17.04,16.07,15.08,13.020,25.026,30]triaconta-1,4(16),5,7(15),8,10,12,17,19(30),20,22,24,26,28-tetradecaene;3-triphenylen-2-yl-3-azaoctacyclo[18.10.1.02,18.04,17.05,10.011,16.021,26.027,31]hentriaconta-1,4(17),5,7,9,11,13,15,18,20(31),21,23,25,27,29-pentadecaene is c1cc(-c2ccc3c4c(cccc24)-c2ccccc2-3)cc(-n2c3c4cccc5c4c(cc3c3c4ccccc4c4ccccc4c32)-c2ccccc2-5)c1.c1ccc(-c2nc(-c3ccc(-n4c5c6cccc7c6c(cc5c5c6ccccc6c6ccccc6c54)-c4ccccc4-7)cc3)nc3ccccc23)cc1.c1ccc(-c2nc(-n3c4ccc5c6ccccc6sc5c4c4cc5c6c(cccc6c43)-c3ccccc3-5)nc3ccccc23)cc1.c1ccc2c(c1)-c1cccc3c1c-2cc1c2c4ccccc4c4ccccc4c2n(-c2ccc4c5ccccc5c5ccccc5c4c2)c31.

What is the InChIKey of 3-(3-fluoranthen-3-ylphenyl)-3-azaoctacyclo[18.10.1.02,18.04,17.05,10.011,16.021,26.027,31]hentriaconta-1,4(17),5,7,9,11,13,15,18,20(31),21,23,25,27,29-pentadecaene;3-[4-(4-phenylquinazolin-2-yl)phenyl]-3-azaoctacyclo[18.10.1.02,18.04,17.05,10.011,16.021,26.027,31]hentriaconta-1,4(17),5,7,9,11,13,15,18,20(31),21,23,25,27,29-pentadecaene;3-(4-phenylquinazolin-2-yl)-14-thia-3-azaoctacyclo[17.10.1.02,17.04,16.07,15.08,13.020,25.026,30]triaconta-1,4(16),5,7(15),8,10,12,17,19(30),20,22,24,26,28-tetradecaene;3-triphenylen-2-yl-3-azaoctacyclo[18.10.1.02,18.04,17.05,10.011,16.021,26.027,31]hentriaconta-1,4(17),5,7,9,11,13,15,18,20(31),21,23,25,27,29-pentadecaene?

The InChIKey is UPCFCSMNHCKJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H29N.C50H29N3.C48H27N.C42H23N3S/c1-2-15-34-33(14-1)40-23-10-22-39-32(26-27-43(34)48(39)40)30-12-9-13-31(28-30)53-51-45-25-11-24-41-36-17-3-4-19-38(36)46(49(41)45)29-47(51)50-42-20-7-5-16-35(42)37-18-6-8-21-44(37)52(50)53;1-2-13-30(14-3-1)47-40-21-10-11-24-44(40)51-50(52-47)31-25-27-32(28-26-31)53-48-41-23-12-22-37-34-16-4-5-18-36(34)42(45(37)41)29-43(48)46-38-19-8-6-15-33(38)35-17-7-9-20-39(35)49(46)53;1-2-14-31-29(12-1)30-13-3-5-18-35(30)42-26-28(24-25-37(31)42)49-47-41-23-11-22-38-33-16-4-6-19-36(33)43(45(38)41)27-44(47)46-39-20-9-7-15-32(39)34-17-8-10-21-40(34)48(46)49;1-2-11-24(12-3-1)39-30-16-6-8-19-34(30)43-42(44-39)45-35-22-21-29-27-15-7-9-20-36(27)46-41(29)38(35)33-23-32-26-14-5-4-13-25(26)28-17-10-18-31(37(28)32)40(33)45/h2*1-29H;1-27H;1-23H.

What are the key properties of 3-(3-fluoranthen-3-ylphenyl)-3-azaoctacyclo[18.10.1.02,18.04,17.05,10.011,16.021,26.027,31]hentriaconta-1,4(17),5,7,9,11,13,15,18,20(31),21,23,25,27,29-pentadecaene;3-[4-(4-phenylquinazolin-2-yl)phenyl]-3-azaoctacyclo[18.10.1.02,18.04,17.05,10.011,16.021,26.027,31]hentriaconta-1,4(17),5,7,9,11,13,15,18,20(31),21,23,25,27,29-pentadecaene;3-(4-phenylquinazolin-2-yl)-14-thia-3-azaoctacyclo[17.10.1.02,17.04,16.07,15.08,13.020,25.026,30]triaconta-1,4(16),5,7(15),8,10,12,17,19(30),20,22,24,26,28-tetradecaene;3-triphenylen-2-yl-3-azaoctacyclo[18.10.1.02,18.04,17.05,10.011,16.021,26.027,31]hentriaconta-1,4(17),5,7,9,11,13,15,18,20(31),21,23,25,27,29-pentadecaene?

3-(3-fluoranthen-3-ylphenyl)-3-azaoctacyclo[18.10.1.02,18.04,17.05,10.011,16.021,26.027,31]hentriaconta-1,4(17),5,7,9,11,13,15,18,20(31),21,23,25,27,29-pentadecaene;3-[4-(4-phenylquinazolin-2-yl)phenyl]-3-azaoctacyclo[18.10.1.02,18.04,17.05,10.011,16.021,26.027,31]hentriaconta-1,4(17),5,7,9,11,13,15,18,20(31),21,23,25,27,29-pentadecaene;3-(4-phenylquinazolin-2-yl)-14-thia-3-azaoctacyclo[17.10.1.02,17.04,16.07,15.08,13.020,25.026,30]triaconta-1,4(16),5,7(15),8,10,12,17,19(30),20,22,24,26,28-tetradecaene;3-triphenylen-2-yl-3-azaoctacyclo[18.10.1.02,18.04,17.05,10.011,16.021,26.027,31]hentriaconta-1,4(17),5,7,9,11,13,15,18,20(31),21,23,25,27,29-pentadecaene has a molecular weight of 2559.10 g/mol, XLogP of 52.44, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-fluoranthen-3-ylphenyl)-3-azaoctacyclo[18.10.1.02,18.04,17.05,10.011,16.021,26.027,31]hentriaconta-1,4(17),5,7,9,11,13,15,18,20(31),21,23,25,27,29-pentadecaene;3-[4-(4-phenylquinazolin-2-yl)phenyl]-3-azaoctacyclo[18.10.1.02,18.04,17.05,10.011,16.021,26.027,31]hentriaconta-1,4(17),5,7,9,11,13,15,18,20(31),21,23,25,27,29-pentadecaene;3-(4-phenylquinazolin-2-yl)-14-thia-3-azaoctacyclo[17.10.1.02,17.04,16.07,15.08,13.020,25.026,30]triaconta-1,4(16),5,7(15),8,10,12,17,19(30),20,22,24,26,28-tetradecaene;3-triphenylen-2-yl-3-azaoctacyclo[18.10.1.02,18.04,17.05,10.011,16.021,26.027,31]hentriaconta-1,4(17),5,7,9,11,13,15,18,20(31),21,23,25,27,29-pentadecaene is sourced from PubChem (CID 161154371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).