10-phenyl-33-(4-phenylquinazolin-2-yl)-10,21,33-triazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.022,27.028,32]tritriaconta-1(31),2,4,6,8,11,13,15(20),16,18,22,24,26,28(32),29-pentadecaene;34-(3-phenylquinoxalin-2-yl)-1,34-diazanonacyclo[16.14.1.16,9.02,7.08,13.014,33.019,32.020,25.026,31]tetratriaconta-2,4,6,8(13),9,11,14(33),15,17,19(32),20,22,24,26,28,30-hexadecaene;30-[5-(3-phenylquinoxalin-2-yl)-2-pyridinyl]-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene

C143H82N14 — CID 158495458

About 10-phenyl-33-(4-phenylquinazolin-2-yl)-10,21,33-triazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.022,27.028,32]tritriaconta-1(31),2,4,6,8,11,13,15(20),16,18,22,24,26,28(32),29-pentadecaene;34-(3-phenylquinoxalin-2-yl)-1,34-diazanonacyclo[16.14.1.16,9.02,7.08,13.014,33.019,32.020,25.026,31]tetratriaconta-2,4,6,8(13),9,11,14(33),15,17,19(32),20,22,24,26,28,30-hexadecaene;30-[5-(3-phenylquinoxalin-2-yl)-2-pyridinyl]-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene

10-phenyl-33-(4-phenylquinazolin-2-yl)-10,21,33-triazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.022,27.028,32]tritriaconta-1(31),2,4,6,8,11,13,15(20),16,18,22,24,26,28(32),29-pentadecaene;34-(3-phenylquinoxalin-2-yl)-1,34-diazanonacyclo[16.14.1.16,9.02,7.08,13.014,33.019,32.020,25.026,31]tetratriaconta-2,4,6,8(13),9,11,14(33),15,17,19(32),20,22,24,26,28,30-hexadecaene;30-[5-(3-phenylquinoxalin-2-yl)-2-pyridinyl]-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene (PubChem CID 158495458) has the molecular formula C143H82N14 and a molecular weight of 1996.33 g/mol. Its IUPAC name is 10-phenyl-33-(4-phenylquinazolin-2-yl)-10,21,33-triazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.022,27.028,32]tritriaconta-1(31),2,4,6,8,11,13,15(20),16,18,22,24,26,28(32),29-pentadecaene;34-(3-phenylquinoxalin-2-yl)-1,34-diazanonacyclo[16.14.1.16,9.02,7.08,13.014,33.019,32.020,25.026,31]tetratriaconta-2,4,6,8(13),9,11,14(33),15,17,19(32),20,22,24,26,28,30-hexadecaene;30-[5-(3-phenylquinoxalin-2-yl)-2-pyridinyl]-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene.

Molecular Properties

• Compound Name: 10-phenyl-33-(4-phenylquinazolin-2-yl)-10,21,33-triazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.022,27.028,32]tritriaconta-1(31),2,4,6,8,11,13,15(20),16,18,22,24,26,28(32),29-pentadecaene;34-(3-phenylquinoxalin-2-yl)-1,34-diazanonacyclo[16.14.1.16,9.02,7.08,13.014,33.019,32.020,25.026,31]tetratriaconta-2,4,6,8(13),9,11,14(33),15,17,19(32),20,22,24,26,28,30-hexadecaene;30-[5-(3-phenylquinoxalin-2-yl)-2-pyridinyl]-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene
• PubChem CID: 158495458
• Molecular Formula: C143H82N14
• Molecular Weight: 1996.33 g/mol
• Exact Mass: 1994.68
• IUPAC Name: 10-phenyl-33-(4-phenylquinazolin-2-yl)-10,21,33-triazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.022,27.028,32]tritriaconta-1(31),2,4,6,8,11,13,15(20),16,18,22,24,26,28(32),29-pentadecaene;34-(3-phenylquinoxalin-2-yl)-1,34-diazanonacyclo[16.14.1.16,9.02,7.08,13.014,33.019,32.020,25.026,31]tetratriaconta-2,4,6,8(13),9,11,14(33),15,17,19(32),20,22,24,26,28,30-hexadecaene;30-[5-(3-phenylquinoxalin-2-yl)-2-pyridinyl]-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene
• SMILES: c1ccc(-c2nc(-n3c4cc5c(c6ccccc6n5-c5ccccc5)c5c6cccc7c8ccccc8n(c8cccc3c8c54)c76)nc3ccccc23)cc1.c1ccc(-c2nc3ccccc3nc2-c2ccc(-n3c4cccc5c6cccc7c8c9ccccc9ccc8n(c8cccc3c8c54)c67)nc2)cc1.c1ccc(-c2nc3ccccc3nc2-n2c3cccc4c5cccc6c7c8ccccc8c8ccccc8c7n(c7cccc2c7c43)c56)cc1
• InChI: InChI=1S/C50H29N5.C47H27N5.C46H26N4/c1-3-15-30(16-4-1)48-34-20-7-10-24-37(34)51-50(52-48)55-41-28-14-27-40-46(41)47-43(55)29-42-44(35-21-9-12-26-39(35)53(42)31-17-5-2-6-18-31)45(47)36-23-13-22-33-32-19-8-11-25-38(32)54(40)49(33)36;1-2-12-29(13-3-1)45-46(50-36-19-7-6-18-35(36)49-45)30-24-26-41(48-27-30)51-37-20-9-15-32-33-16-8-17-34-42-31-14-5-4-11-28(31)23-25-40(42)52(47(33)34)39-22-10-21-38(51)44(39)43(32)37;1-2-13-27(14-3-1)43-46(48-36-23-9-8-22-35(36)47-43)49-37-24-11-19-31-33-20-10-21-34-40-30-17-6-4-15-28(30)29-16-5-7-18-32(29)45(40)50(44(33)34)39-26-12-25-38(49)42(39)41(31)37/h1-29H;1-27H;1-26H
• InChIKey: HJFPRSRRGMEJGM-UHFFFAOYSA-N
• XLogP: 36.25
• TPSA: 123.18 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1996.33
LogP ≤ 5	36.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-33-(4-phenylquinazolin-2-yl)-10,21,33-triazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.022,27.028,32]tritriaconta-1(31),2,4,6,8,11,13,15(20),16,18,22,24,26,28(32),29-pentadecaene;34-(3-phenylquinoxalin-2-yl)-1,34-diazanonacyclo[16.14.1.16,9.02,7.08,13.014,33.019,32.020,25.026,31]tetratriaconta-2,4,6,8(13),9,11,14(33),15,17,19(32),20,22,24,26,28,30-hexadecaene;30-[5-(3-phenylquinoxalin-2-yl)-2-pyridinyl]-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene?

The IUPAC name of 10-phenyl-33-(4-phenylquinazolin-2-yl)-10,21,33-triazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.022,27.028,32]tritriaconta-1(31),2,4,6,8,11,13,15(20),16,18,22,24,26,28(32),29-pentadecaene;34-(3-phenylquinoxalin-2-yl)-1,34-diazanonacyclo[16.14.1.16,9.02,7.08,13.014,33.019,32.020,25.026,31]tetratriaconta-2,4,6,8(13),9,11,14(33),15,17,19(32),20,22,24,26,28,30-hexadecaene;30-[5-(3-phenylquinoxalin-2-yl)-2-pyridinyl]-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene (CID 158495458) is 10-phenyl-33-(4-phenylquinazolin-2-yl)-10,21,33-triazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.022,27.028,32]tritriaconta-1(31),2,4,6,8,11,13,15(20),16,18,22,24,26,28(32),29-pentadecaene;34-(3-phenylquinoxalin-2-yl)-1,34-diazanonacyclo[16.14.1.16,9.02,7.08,13.014,33.019,32.020,25.026,31]tetratriaconta-2,4,6,8(13),9,11,14(33),15,17,19(32),20,22,24,26,28,30-hexadecaene;30-[5-(3-phenylquinoxalin-2-yl)-2-pyridinyl]-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene.

What is the SMILES notation for 10-phenyl-33-(4-phenylquinazolin-2-yl)-10,21,33-triazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.022,27.028,32]tritriaconta-1(31),2,4,6,8,11,13,15(20),16,18,22,24,26,28(32),29-pentadecaene;34-(3-phenylquinoxalin-2-yl)-1,34-diazanonacyclo[16.14.1.16,9.02,7.08,13.014,33.019,32.020,25.026,31]tetratriaconta-2,4,6,8(13),9,11,14(33),15,17,19(32),20,22,24,26,28,30-hexadecaene;30-[5-(3-phenylquinoxalin-2-yl)-2-pyridinyl]-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene?

The canonical SMILES for 10-phenyl-33-(4-phenylquinazolin-2-yl)-10,21,33-triazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.022,27.028,32]tritriaconta-1(31),2,4,6,8,11,13,15(20),16,18,22,24,26,28(32),29-pentadecaene;34-(3-phenylquinoxalin-2-yl)-1,34-diazanonacyclo[16.14.1.16,9.02,7.08,13.014,33.019,32.020,25.026,31]tetratriaconta-2,4,6,8(13),9,11,14(33),15,17,19(32),20,22,24,26,28,30-hexadecaene;30-[5-(3-phenylquinoxalin-2-yl)-2-pyridinyl]-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene is c1ccc(-c2nc(-n3c4cc5c(c6ccccc6n5-c5ccccc5)c5c6cccc7c8ccccc8n(c8cccc3c8c54)c76)nc3ccccc23)cc1.c1ccc(-c2nc3ccccc3nc2-c2ccc(-n3c4cccc5c6cccc7c8c9ccccc9ccc8n(c8cccc3c8c54)c67)nc2)cc1.c1ccc(-c2nc3ccccc3nc2-n2c3cccc4c5cccc6c7c8ccccc8c8ccccc8c7n(c7cccc2c7c43)c56)cc1.

What is the InChIKey of 10-phenyl-33-(4-phenylquinazolin-2-yl)-10,21,33-triazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.022,27.028,32]tritriaconta-1(31),2,4,6,8,11,13,15(20),16,18,22,24,26,28(32),29-pentadecaene;34-(3-phenylquinoxalin-2-yl)-1,34-diazanonacyclo[16.14.1.16,9.02,7.08,13.014,33.019,32.020,25.026,31]tetratriaconta-2,4,6,8(13),9,11,14(33),15,17,19(32),20,22,24,26,28,30-hexadecaene;30-[5-(3-phenylquinoxalin-2-yl)-2-pyridinyl]-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene?

The InChIKey is HJFPRSRRGMEJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H29N5.C47H27N5.C46H26N4/c1-3-15-30(16-4-1)48-34-20-7-10-24-37(34)51-50(52-48)55-41-28-14-27-40-46(41)47-43(55)29-42-44(35-21-9-12-26-39(35)53(42)31-17-5-2-6-18-31)45(47)36-23-13-22-33-32-19-8-11-25-38(32)54(40)49(33)36;1-2-12-29(13-3-1)45-46(50-36-19-7-6-18-35(36)49-45)30-24-26-41(48-27-30)51-37-20-9-15-32-33-16-8-17-34-42-31-14-5-4-11-28(31)23-25-40(42)52(47(33)34)39-22-10-21-38(51)44(39)43(32)37;1-2-13-27(14-3-1)43-46(48-36-23-9-8-22-35(36)47-43)49-37-24-11-19-31-33-20-10-21-34-40-30-17-6-4-15-28(30)29-16-5-7-18-32(29)45(40)50(44(33)34)39-26-12-25-38(49)42(39)41(31)37/h1-29H;1-27H;1-26H.

What are the key properties of 10-phenyl-33-(4-phenylquinazolin-2-yl)-10,21,33-triazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.022,27.028,32]tritriaconta-1(31),2,4,6,8,11,13,15(20),16,18,22,24,26,28(32),29-pentadecaene;34-(3-phenylquinoxalin-2-yl)-1,34-diazanonacyclo[16.14.1.16,9.02,7.08,13.014,33.019,32.020,25.026,31]tetratriaconta-2,4,6,8(13),9,11,14(33),15,17,19(32),20,22,24,26,28,30-hexadecaene;30-[5-(3-phenylquinoxalin-2-yl)-2-pyridinyl]-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene?

10-phenyl-33-(4-phenylquinazolin-2-yl)-10,21,33-triazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.022,27.028,32]tritriaconta-1(31),2,4,6,8,11,13,15(20),16,18,22,24,26,28(32),29-pentadecaene;34-(3-phenylquinoxalin-2-yl)-1,34-diazanonacyclo[16.14.1.16,9.02,7.08,13.014,33.019,32.020,25.026,31]tetratriaconta-2,4,6,8(13),9,11,14(33),15,17,19(32),20,22,24,26,28,30-hexadecaene;30-[5-(3-phenylquinoxalin-2-yl)-2-pyridinyl]-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene has a molecular weight of 1996.33 g/mol, XLogP of 36.25, 8 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 10-phenyl-33-(4-phenylquinazolin-2-yl)-10,21,33-triazanonacyclo[19.10.1.113,16.02,14.03,11.04,9.015,20.022,27.028,32]tritriaconta-1(31),2,4,6,8,11,13,15(20),16,18,22,24,26,28(32),29-pentadecaene;34-(3-phenylquinoxalin-2-yl)-1,34-diazanonacyclo[16.14.1.16,9.02,7.08,13.014,33.019,32.020,25.026,31]tetratriaconta-2,4,6,8(13),9,11,14(33),15,17,19(32),20,22,24,26,28,30-hexadecaene;30-[5-(3-phenylquinoxalin-2-yl)-2-pyridinyl]-1,30-diazaoctacyclo[14.12.1.121,24.02,11.05,10.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12,14,16(29),17(22),18,20,23,25,27-tetradecaene is sourced from PubChem (CID 158495458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).