2-(3,15-diphenyl-8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaenyl)benzo[h]quinoline;9-[(3,15-diphenyl-8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaenyl)methyl]carbazole;2-[2-[3,15-diphenyl-10-(2-pyridin-2-ylphenyl)-22-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19(24),20,22,25(29),26-pentadecaenyl]phenyl]pyridine;N-methyl-N,3,15-triphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaen-10-amine

C223H133N5 — CID 161349558

About 2-(3,15-diphenyl-8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaenyl)benzo[h]quinoline;9-[(3,15-diphenyl-8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaenyl)methyl]carbazole;2-[2-[3,15-diphenyl-10-(2-pyridin-2-ylphenyl)-22-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19(24),20,22,25(29),26-pentadecaenyl]phenyl]pyridine;N-methyl-N,3,15-triphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaen-10-amine

2-(3,15-diphenyl-8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaenyl)benzo[h]quinoline;9-[(3,15-diphenyl-8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaenyl)methyl]carbazole;2-[2-[3,15-diphenyl-10-(2-pyridin-2-ylphenyl)-22-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19(24),20,22,25(29),26-pentadecaenyl]phenyl]pyridine;N-methyl-N,3,15-triphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaen-10-amine (PubChem CID 161349558) has the molecular formula C223H133N5 and a molecular weight of 2882.55 g/mol. Its IUPAC name is 2-(3,15-diphenyl-8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaenyl)benzo[h]quinoline;9-[(3,15-diphenyl-8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaenyl)methyl]carbazole;2-[2-[3,15-diphenyl-10-(2-pyridin-2-ylphenyl)-22-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19(24),20,22,25(29),26-pentadecaenyl]phenyl]pyridine;N-methyl-N,3,15-triphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaen-10-amine.

Molecular Properties

• Compound Name: 2-(3,15-diphenyl-8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaenyl)benzo[h]quinoline;9-[(3,15-diphenyl-8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaenyl)methyl]carbazole;2-[2-[3,15-diphenyl-10-(2-pyridin-2-ylphenyl)-22-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19(24),20,22,25(29),26-pentadecaenyl]phenyl]pyridine;N-methyl-N,3,15-triphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaen-10-amine
• PubChem CID: 161349558
• Molecular Formula: C223H133N5
• Molecular Weight: 2882.55 g/mol
• Exact Mass: 2880.06
• IUPAC Name: 2-(3,15-diphenyl-8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaenyl)benzo[h]quinoline;9-[(3,15-diphenyl-8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaenyl)methyl]carbazole;2-[2-[3,15-diphenyl-10-(2-pyridin-2-ylphenyl)-22-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19(24),20,22,25(29),26-pentadecaenyl]phenyl]pyridine;N-methyl-N,3,15-triphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaen-10-amine
• SMILES: CN(c1ccccc1)c1ccc2c3c(-c4ccccc4)c4cc5c6ccccc6c6cccc(c4c(-c4ccccc4)c3c3cccc1c23)c65.c1ccc(-c2c3cc4c5ccc(-c6ccccc6-c6ccccn6)cc5c5cccc(c3c(-c3ccccc3)c3c6cccc7c(-c8ccccc8-c8ccccn8)ccc(c23)c76)c54)cc1.c1ccc(-c2c3cc4c5ccccc5c5cccc(c3c(-c3ccccc3)c3c6ccc(-c7ccc8ccc9ccccc9c8n7)c7cccc(c23)c76)c54)cc1.c1ccc(-c2c3cc4c5ccccc5c5cccc(c3c(-c3ccccc3)c3c6ccc(Cn7c8ccccc8c8ccccc87)c7cccc(c23)c76)c54)cc1
• InChI: InChI=1S/C64H38N2.C55H33N.C55H31N.C49H31N/c1-3-17-39(18-4-1)58-55-38-54-45-32-31-41(42-21-7-9-23-46(42)56-29-11-13-35-65-56)37-53(45)49-26-16-27-50(61(49)54)62(55)59(40-19-5-2-6-20-40)64-51-28-15-25-48-44(33-34-52(60(48)51)63(58)64)43-22-8-10-24-47(43)57-30-12-14-36-66-57;1-3-15-33(16-4-1)49-46-31-45-38-20-8-7-19-37(38)41-24-14-25-42(52(41)45)53(46)50(34-17-5-2-6-18-34)55-44-30-29-35(36-23-13-26-43(51(36)44)54(49)55)32-56-47-27-11-9-21-39(47)40-22-10-12-28-48(40)56;1-3-14-33(15-4-1)48-46-31-45-38-20-10-9-19-37(38)40-21-11-23-42(51(40)45)52(46)49(34-16-5-2-6-17-34)54-44-29-28-39(41-22-12-24-43(50(41)44)53(48)54)47-30-27-35-26-25-32-13-7-8-18-36(32)55(35)56-47;1-50(32-19-9-4-10-20-32)42-28-27-39-46-36(42)24-14-26-38(46)49-44(31-17-7-3-8-18-31)47-37-25-13-23-35-33-21-11-12-22-34(33)40(45(35)37)29-41(47)43(48(39)49)30-15-5-2-6-16-30/h1-38H;1-31H,32H2;1-31H;2-29H,1H3
• InChIKey: VNTHNAZXNOKNII-UHFFFAOYSA-N
• XLogP: 61.62
• TPSA: 46.84 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 17
• Heavy Atoms: 228
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2882.55
LogP ≤ 5	61.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3,15-diphenyl-8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaenyl)benzo[h]quinoline;9-[(3,15-diphenyl-8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaenyl)methyl]carbazole;2-[2-[3,15-diphenyl-10-(2-pyridin-2-ylphenyl)-22-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19(24),20,22,25(29),26-pentadecaenyl]phenyl]pyridine;N-methyl-N,3,15-triphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaen-10-amine?

The IUPAC name of 2-(3,15-diphenyl-8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaenyl)benzo[h]quinoline;9-[(3,15-diphenyl-8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaenyl)methyl]carbazole;2-[2-[3,15-diphenyl-10-(2-pyridin-2-ylphenyl)-22-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19(24),20,22,25(29),26-pentadecaenyl]phenyl]pyridine;N-methyl-N,3,15-triphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaen-10-amine (CID 161349558) is 2-(3,15-diphenyl-8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaenyl)benzo[h]quinoline;9-[(3,15-diphenyl-8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaenyl)methyl]carbazole;2-[2-[3,15-diphenyl-10-(2-pyridin-2-ylphenyl)-22-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19(24),20,22,25(29),26-pentadecaenyl]phenyl]pyridine;N-methyl-N,3,15-triphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaen-10-amine.

What is the SMILES notation for 2-(3,15-diphenyl-8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaenyl)benzo[h]quinoline;9-[(3,15-diphenyl-8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaenyl)methyl]carbazole;2-[2-[3,15-diphenyl-10-(2-pyridin-2-ylphenyl)-22-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19(24),20,22,25(29),26-pentadecaenyl]phenyl]pyridine;N-methyl-N,3,15-triphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaen-10-amine?

The canonical SMILES for 2-(3,15-diphenyl-8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaenyl)benzo[h]quinoline;9-[(3,15-diphenyl-8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaenyl)methyl]carbazole;2-[2-[3,15-diphenyl-10-(2-pyridin-2-ylphenyl)-22-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19(24),20,22,25(29),26-pentadecaenyl]phenyl]pyridine;N-methyl-N,3,15-triphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaen-10-amine is CN(c1ccccc1)c1ccc2c3c(-c4ccccc4)c4cc5c6ccccc6c6cccc(c4c(-c4ccccc4)c3c3cccc1c23)c65.c1ccc(-c2c3cc4c5ccc(-c6ccccc6-c6ccccn6)cc5c5cccc(c3c(-c3ccccc3)c3c6cccc7c(-c8ccccc8-c8ccccn8)ccc(c23)c76)c54)cc1.c1ccc(-c2c3cc4c5ccccc5c5cccc(c3c(-c3ccccc3)c3c6ccc(-c7ccc8ccc9ccccc9c8n7)c7cccc(c23)c76)c54)cc1.c1ccc(-c2c3cc4c5ccccc5c5cccc(c3c(-c3ccccc3)c3c6ccc(Cn7c8ccccc8c8ccccc87)c7cccc(c23)c76)c54)cc1.

What is the InChIKey of 2-(3,15-diphenyl-8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaenyl)benzo[h]quinoline;9-[(3,15-diphenyl-8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaenyl)methyl]carbazole;2-[2-[3,15-diphenyl-10-(2-pyridin-2-ylphenyl)-22-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19(24),20,22,25(29),26-pentadecaenyl]phenyl]pyridine;N-methyl-N,3,15-triphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaen-10-amine?

The InChIKey is VNTHNAZXNOKNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H38N2.C55H33N.C55H31N.C49H31N/c1-3-17-39(18-4-1)58-55-38-54-45-32-31-41(42-21-7-9-23-46(42)56-29-11-13-35-65-56)37-53(45)49-26-16-27-50(61(49)54)62(55)59(40-19-5-2-6-20-40)64-51-28-15-25-48-44(33-34-52(60(48)51)63(58)64)43-22-8-10-24-47(43)57-30-12-14-36-66-57;1-3-15-33(16-4-1)49-46-31-45-38-20-8-7-19-37(38)41-24-14-25-42(52(41)45)53(46)50(34-17-5-2-6-18-34)55-44-30-29-35(36-23-13-26-43(51(36)44)54(49)55)32-56-47-27-11-9-21-39(47)40-22-10-12-28-48(40)56;1-3-14-33(15-4-1)48-46-31-45-38-20-10-9-19-37(38)40-21-11-23-42(51(40)45)52(46)49(34-16-5-2-6-17-34)54-44-29-28-39(41-22-12-24-43(50(41)44)53(48)54)47-30-27-35-26-25-32-13-7-8-18-36(32)55(35)56-47;1-50(32-19-9-4-10-20-32)42-28-27-39-46-36(42)24-14-26-38(46)49-44(31-17-7-3-8-18-31)47-37-25-13-23-35-33-21-11-12-22-34(33)40(45(35)37)29-41(47)43(48(39)49)30-15-5-2-6-16-30/h1-38H;1-31H,32H2;1-31H;2-29H,1H3.

What are the key properties of 2-(3,15-diphenyl-8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaenyl)benzo[h]quinoline;9-[(3,15-diphenyl-8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaenyl)methyl]carbazole;2-[2-[3,15-diphenyl-10-(2-pyridin-2-ylphenyl)-22-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19(24),20,22,25(29),26-pentadecaenyl]phenyl]pyridine;N-methyl-N,3,15-triphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaen-10-amine?

2-(3,15-diphenyl-8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaenyl)benzo[h]quinoline;9-[(3,15-diphenyl-8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaenyl)methyl]carbazole;2-[2-[3,15-diphenyl-10-(2-pyridin-2-ylphenyl)-22-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19(24),20,22,25(29),26-pentadecaenyl]phenyl]pyridine;N-methyl-N,3,15-triphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaen-10-amine has a molecular weight of 2882.55 g/mol, XLogP of 61.62, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,15-diphenyl-8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaenyl)benzo[h]quinoline;9-[(3,15-diphenyl-8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaenyl)methyl]carbazole;2-[2-[3,15-diphenyl-10-(2-pyridin-2-ylphenyl)-22-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19(24),20,22,25(29),26-pentadecaenyl]phenyl]pyridine;N-methyl-N,3,15-triphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaen-10-amine is sourced from PubChem (CID 161349558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).