N,N-bis(4-tert-butylphenyl)-13-phenylheptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1,3(26),4,6,8,10,12,14,16,18(25),19,21,23-tridecaen-6-amine;2-(6-heptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1(25),2(12),3(26),4,6,8,10,13,15,17,19,21,23-tridecaenyl)-4,6-dimethyl-1,3,5-triazine;2-(13-phenyl-6-heptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1,3(26),4,6,8,10,12,14,16,18(25),19,21,23-tridecaenyl)pyridine;N,N,13-triphenylheptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1,3(26),4,6,8,10,12,14,16,18(25),19,21,23-tridecaen-6-amine

C164H110N6 — CID 158538716

About N,N-bis(4-tert-butylphenyl)-13-phenylheptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1,3(26),4,6,8,10,12,14,16,18(25),19,21,23-tridecaen-6-amine;2-(6-heptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1(25),2(12),3(26),4,6,8,10,13,15,17,19,21,23-tridecaenyl)-4,6-dimethyl-1,3,5-triazine;2-(13-phenyl-6-heptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1,3(26),4,6,8,10,12,14,16,18(25),19,21,23-tridecaenyl)pyridine;N,N,13-triphenylheptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1,3(26),4,6,8,10,12,14,16,18(25),19,21,23-tridecaen-6-amine

N,N-bis(4-tert-butylphenyl)-13-phenylheptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1,3(26),4,6,8,10,12,14,16,18(25),19,21,23-tridecaen-6-amine;2-(6-heptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1(25),2(12),3(26),4,6,8,10,13,15,17,19,21,23-tridecaenyl)-4,6-dimethyl-1,3,5-triazine;2-(13-phenyl-6-heptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1,3(26),4,6,8,10,12,14,16,18(25),19,21,23-tridecaenyl)pyridine;N,N,13-triphenylheptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1,3(26),4,6,8,10,12,14,16,18(25),19,21,23-tridecaen-6-amine (PubChem CID 158538716) has the molecular formula C164H110N6 and a molecular weight of 2164.73 g/mol. Its IUPAC name is N,N-bis(4-tert-butylphenyl)-13-phenylheptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1,3(26),4,6,8,10,12,14,16,18(25),19,21,23-tridecaen-6-amine;2-(6-heptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1(25),2(12),3(26),4,6,8,10,13,15,17,19,21,23-tridecaenyl)-4,6-dimethyl-1,3,5-triazine;2-(13-phenyl-6-heptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1,3(26),4,6,8,10,12,14,16,18(25),19,21,23-tridecaenyl)pyridine;N,N,13-triphenylheptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1,3(26),4,6,8,10,12,14,16,18(25),19,21,23-tridecaen-6-amine.

Molecular Properties

• Compound Name: N,N-bis(4-tert-butylphenyl)-13-phenylheptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1,3(26),4,6,8,10,12,14,16,18(25),19,21,23-tridecaen-6-amine;2-(6-heptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1(25),2(12),3(26),4,6,8,10,13,15,17,19,21,23-tridecaenyl)-4,6-dimethyl-1,3,5-triazine;2-(13-phenyl-6-heptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1,3(26),4,6,8,10,12,14,16,18(25),19,21,23-tridecaenyl)pyridine;N,N,13-triphenylheptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1,3(26),4,6,8,10,12,14,16,18(25),19,21,23-tridecaen-6-amine
• PubChem CID: 158538716
• Molecular Formula: C164H110N6
• Molecular Weight: 2164.73 g/mol
• Exact Mass: 2162.88
• IUPAC Name: N,N-bis(4-tert-butylphenyl)-13-phenylheptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1,3(26),4,6,8,10,12,14,16,18(25),19,21,23-tridecaen-6-amine;2-(6-heptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1(25),2(12),3(26),4,6,8,10,13,15,17,19,21,23-tridecaenyl)-4,6-dimethyl-1,3,5-triazine;2-(13-phenyl-6-heptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1,3(26),4,6,8,10,12,14,16,18(25),19,21,23-tridecaenyl)pyridine;N,N,13-triphenylheptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1,3(26),4,6,8,10,12,14,16,18(25),19,21,23-tridecaen-6-amine
• SMILES: CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3c4c2cccc4c2c(-c4ccccc4)c4cccc5c6ccccc6c(c45)c32)cc1.Cc1nc(C)nc(-c2ccc3c4c2cccc4c2cc4cccc5c6ccccc6c(c45)c23)n1.c1ccc(-c2c3cccc4c5ccccc5c(c34)c3c4ccc(-c5ccccn5)c5cccc(c23)c54)cc1.c1ccc(-c2c3cccc4c5ccccc5c(c34)c3c4ccc(N(c5ccccc5)c5ccccc5)c5cccc(c23)c54)cc1
• InChI: InChI=1S/C52H43N.C44H27N.C37H21N.C31H19N3/c1-51(2,3)33-22-26-35(27-23-33)53(36-28-24-34(25-29-36)52(4,5)6)44-31-30-43-46-40(44)19-13-21-42(46)49-45(32-14-8-7-9-15-32)41-20-12-18-38-37-16-10-11-17-39(37)48(47(38)41)50(43)49;1-4-14-28(15-5-1)39-35-24-12-22-32-31-20-10-11-21-33(31)42(41(32)35)44-37-26-27-38(34-23-13-25-36(40(34)37)43(39)44)45(29-16-6-2-7-17-29)30-18-8-3-9-19-30;1-2-10-22(11-3-1)32-28-16-8-14-25-23-12-4-5-13-26(23)35(34(25)28)37-30-20-19-24(31-18-6-7-21-38-31)27-15-9-17-29(33(27)30)36(32)37;1-16-32-17(2)34-31(33-16)24-13-14-25-28-22(24)11-6-12-23(28)26-15-18-7-5-10-20-19-8-3-4-9-21(19)30(27(18)20)29(25)26/h7-31H,1-6H3;1-27H;1-21H;3-15H,1-2H3
• InChIKey: HOGJZVUYGIMFLY-UHFFFAOYSA-N
• XLogP: 45.99
• TPSA: 58.04 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2164.73
LogP ≤ 5	45.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-tert-butylphenyl)-13-phenylheptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1,3(26),4,6,8,10,12,14,16,18(25),19,21,23-tridecaen-6-amine;2-(6-heptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1(25),2(12),3(26),4,6,8,10,13,15,17,19,21,23-tridecaenyl)-4,6-dimethyl-1,3,5-triazine;2-(13-phenyl-6-heptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1,3(26),4,6,8,10,12,14,16,18(25),19,21,23-tridecaenyl)pyridine;N,N,13-triphenylheptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1,3(26),4,6,8,10,12,14,16,18(25),19,21,23-tridecaen-6-amine?

The IUPAC name of N,N-bis(4-tert-butylphenyl)-13-phenylheptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1,3(26),4,6,8,10,12,14,16,18(25),19,21,23-tridecaen-6-amine;2-(6-heptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1(25),2(12),3(26),4,6,8,10,13,15,17,19,21,23-tridecaenyl)-4,6-dimethyl-1,3,5-triazine;2-(13-phenyl-6-heptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1,3(26),4,6,8,10,12,14,16,18(25),19,21,23-tridecaenyl)pyridine;N,N,13-triphenylheptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1,3(26),4,6,8,10,12,14,16,18(25),19,21,23-tridecaen-6-amine (CID 158538716) is N,N-bis(4-tert-butylphenyl)-13-phenylheptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1,3(26),4,6,8,10,12,14,16,18(25),19,21,23-tridecaen-6-amine;2-(6-heptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1(25),2(12),3(26),4,6,8,10,13,15,17,19,21,23-tridecaenyl)-4,6-dimethyl-1,3,5-triazine;2-(13-phenyl-6-heptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1,3(26),4,6,8,10,12,14,16,18(25),19,21,23-tridecaenyl)pyridine;N,N,13-triphenylheptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1,3(26),4,6,8,10,12,14,16,18(25),19,21,23-tridecaen-6-amine.

What is the SMILES notation for N,N-bis(4-tert-butylphenyl)-13-phenylheptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1,3(26),4,6,8,10,12,14,16,18(25),19,21,23-tridecaen-6-amine;2-(6-heptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1(25),2(12),3(26),4,6,8,10,13,15,17,19,21,23-tridecaenyl)-4,6-dimethyl-1,3,5-triazine;2-(13-phenyl-6-heptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1,3(26),4,6,8,10,12,14,16,18(25),19,21,23-tridecaenyl)pyridine;N,N,13-triphenylheptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1,3(26),4,6,8,10,12,14,16,18(25),19,21,23-tridecaen-6-amine?

The canonical SMILES for N,N-bis(4-tert-butylphenyl)-13-phenylheptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1,3(26),4,6,8,10,12,14,16,18(25),19,21,23-tridecaen-6-amine;2-(6-heptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1(25),2(12),3(26),4,6,8,10,13,15,17,19,21,23-tridecaenyl)-4,6-dimethyl-1,3,5-triazine;2-(13-phenyl-6-heptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1,3(26),4,6,8,10,12,14,16,18(25),19,21,23-tridecaenyl)pyridine;N,N,13-triphenylheptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1,3(26),4,6,8,10,12,14,16,18(25),19,21,23-tridecaen-6-amine is CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3c4c2cccc4c2c(-c4ccccc4)c4cccc5c6ccccc6c(c45)c32)cc1.Cc1nc(C)nc(-c2ccc3c4c2cccc4c2cc4cccc5c6ccccc6c(c45)c23)n1.c1ccc(-c2c3cccc4c5ccccc5c(c34)c3c4ccc(-c5ccccn5)c5cccc(c23)c54)cc1.c1ccc(-c2c3cccc4c5ccccc5c(c34)c3c4ccc(N(c5ccccc5)c5ccccc5)c5cccc(c23)c54)cc1.

What is the InChIKey of N,N-bis(4-tert-butylphenyl)-13-phenylheptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1,3(26),4,6,8,10,12,14,16,18(25),19,21,23-tridecaen-6-amine;2-(6-heptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1(25),2(12),3(26),4,6,8,10,13,15,17,19,21,23-tridecaenyl)-4,6-dimethyl-1,3,5-triazine;2-(13-phenyl-6-heptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1,3(26),4,6,8,10,12,14,16,18(25),19,21,23-tridecaenyl)pyridine;N,N,13-triphenylheptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1,3(26),4,6,8,10,12,14,16,18(25),19,21,23-tridecaen-6-amine?

The InChIKey is HOGJZVUYGIMFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H43N.C44H27N.C37H21N.C31H19N3/c1-51(2,3)33-22-26-35(27-23-33)53(36-28-24-34(25-29-36)52(4,5)6)44-31-30-43-46-40(44)19-13-21-42(46)49-45(32-14-8-7-9-15-32)41-20-12-18-38-37-16-10-11-17-39(37)48(47(38)41)50(43)49;1-4-14-28(15-5-1)39-35-24-12-22-32-31-20-10-11-21-33(31)42(41(32)35)44-37-26-27-38(34-23-13-25-36(40(34)37)43(39)44)45(29-16-6-2-7-17-29)30-18-8-3-9-19-30;1-2-10-22(11-3-1)32-28-16-8-14-25-23-12-4-5-13-26(23)35(34(25)28)37-30-20-19-24(31-18-6-7-21-38-31)27-15-9-17-29(33(27)30)36(32)37;1-16-32-17(2)34-31(33-16)24-13-14-25-28-22(24)11-6-12-23(28)26-15-18-7-5-10-20-19-8-3-4-9-21(19)30(27(18)20)29(25)26/h7-31H,1-6H3;1-27H;1-21H;3-15H,1-2H3.

What are the key properties of N,N-bis(4-tert-butylphenyl)-13-phenylheptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1,3(26),4,6,8,10,12,14,16,18(25),19,21,23-tridecaen-6-amine;2-(6-heptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1(25),2(12),3(26),4,6,8,10,13,15,17,19,21,23-tridecaenyl)-4,6-dimethyl-1,3,5-triazine;2-(13-phenyl-6-heptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1,3(26),4,6,8,10,12,14,16,18(25),19,21,23-tridecaenyl)pyridine;N,N,13-triphenylheptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1,3(26),4,6,8,10,12,14,16,18(25),19,21,23-tridecaen-6-amine?

N,N-bis(4-tert-butylphenyl)-13-phenylheptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1,3(26),4,6,8,10,12,14,16,18(25),19,21,23-tridecaen-6-amine;2-(6-heptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1(25),2(12),3(26),4,6,8,10,13,15,17,19,21,23-tridecaenyl)-4,6-dimethyl-1,3,5-triazine;2-(13-phenyl-6-heptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1,3(26),4,6,8,10,12,14,16,18(25),19,21,23-tridecaenyl)pyridine;N,N,13-triphenylheptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1,3(26),4,6,8,10,12,14,16,18(25),19,21,23-tridecaen-6-amine has a molecular weight of 2164.73 g/mol, XLogP of 45.99, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-bis(4-tert-butylphenyl)-13-phenylheptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1,3(26),4,6,8,10,12,14,16,18(25),19,21,23-tridecaen-6-amine;2-(6-heptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1(25),2(12),3(26),4,6,8,10,13,15,17,19,21,23-tridecaenyl)-4,6-dimethyl-1,3,5-triazine;2-(13-phenyl-6-heptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1,3(26),4,6,8,10,12,14,16,18(25),19,21,23-tridecaenyl)pyridine;N,N,13-triphenylheptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1,3(26),4,6,8,10,12,14,16,18(25),19,21,23-tridecaen-6-amine is sourced from PubChem (CID 158538716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).