bis(N,N-bis(4-methylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaen-8-amine);bis(8-bromo-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaene);bromomethane;bis(N,4-dimethyl-N-(4-methylphenyl)aniline);4-methyl-N-(4-methylphenyl)aniline;bis(N-methyl-N-phenylaniline);N-phenylaniline;bis(N,N,3,15-tetraphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaen-8-amine)

C364H266Br4N10 — CID 158363856

About bis(N,N-bis(4-methylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaen-8-amine);bis(8-bromo-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaene);bromomethane;bis(N,4-dimethyl-N-(4-methylphenyl)aniline);4-methyl-N-(4-methylphenyl)aniline;bis(N-methyl-N-phenylaniline);N-phenylaniline;bis(N,N,3,15-tetraphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaen-8-amine)

bis(N,N-bis(4-methylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaen-8-amine);bis(8-bromo-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaene);bromomethane;bis(N,4-dimethyl-N-(4-methylphenyl)aniline);4-methyl-N-(4-methylphenyl)aniline;bis(N-methyl-N-phenylaniline);N-phenylaniline;bis(N,N,3,15-tetraphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaen-8-amine) (PubChem CID 158363856) has the molecular formula C364H266Br4N10 and a molecular weight of 5099.82 g/mol. Its IUPAC name is bis(N,N-bis(4-methylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaen-8-amine);bis(8-bromo-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaene);bromomethane;bis(N,4-dimethyl-N-(4-methylphenyl)aniline);4-methyl-N-(4-methylphenyl)aniline;bis(N-methyl-N-phenylaniline);N-phenylaniline;bis(N,N,3,15-tetraphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaen-8-amine).

Molecular Properties

• Compound Name: bis(N,N-bis(4-methylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaen-8-amine);bis(8-bromo-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaene);bromomethane;bis(N,4-dimethyl-N-(4-methylphenyl)aniline);4-methyl-N-(4-methylphenyl)aniline;bis(N-methyl-N-phenylaniline);N-phenylaniline;bis(N,N,3,15-tetraphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaen-8-amine)
• PubChem CID: 158363856
• Molecular Formula: C364H266Br4N10
• Molecular Weight: 5099.82 g/mol
• Exact Mass: 5091.79
• IUPAC Name: bis(N,N-bis(4-methylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaen-8-amine);bis(8-bromo-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaene);bromomethane;bis(N,4-dimethyl-N-(4-methylphenyl)aniline);4-methyl-N-(4-methylphenyl)aniline;bis(N-methyl-N-phenylaniline);N-phenylaniline;bis(N,N,3,15-tetraphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaen-8-amine)
• SMILES: Brc1ccc2c3c(-c4ccccc4)c4c5cccc6cccc(c4c(-c4ccccc4)c3c3cccc1c32)c65.Brc1ccc2c3c(-c4ccccc4)c4c5cccc6cccc(c4c(-c4ccccc4)c3c3cccc1c32)c65.CBr.CBr.CN(c1ccccc1)c1ccccc1.CN(c1ccccc1)c1ccccc1.Cc1ccc(N(C)c2ccc(C)cc2)cc1.Cc1ccc(N(C)c2ccc(C)cc2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc3c4c(-c5ccccc5)c5c6cccc7cccc(c5c(-c5ccccc5)c4c4cccc2c43)c76)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc3c4c(-c5ccccc5)c5c6cccc7cccc(c5c(-c5ccccc5)c4c4cccc2c43)c76)cc1.Cc1ccc(Nc2ccc(C)cc2)cc1.c1ccc(-c2c3c4cccc5cccc(c3c(-c3ccccc3)c3c6ccc(N(c7ccccc7)c7ccccc7)c7cccc(c23)c76)c54)cc1.c1ccc(-c2c3c4cccc5cccc(c3c(-c3ccccc3)c3c6ccc(N(c7ccccc7)c7ccccc7)c7cccc(c23)c76)c54)cc1.c1ccc(Nc2ccccc2)cc1
• InChI: InChI=1S/2C52H35N.2C50H31N.2C38H21Br.2C15H17N.C14H15N.2C13H13N.C12H11N.2CH3Br/c2*1-32-22-26-37(27-23-32)53(38-28-24-33(2)25-29-38)44-31-30-43-48-39(44)18-11-21-42(48)51-46(35-12-5-3-6-13-35)49-40-19-9-16-34-17-10-20-41(45(34)40)50(49)47(52(43)51)36-14-7-4-8-15-36;2*1-5-16-33(17-6-1)44-47-38-27-13-20-32-21-14-28-39(43(32)38)48(47)45(34-18-7-2-8-19-34)50-41-30-31-42(37-26-15-29-40(46(37)41)49(44)50)51(35-22-9-3-10-23-35)36-24-11-4-12-25-36;2*39-30-21-20-29-34-25(30)16-9-19-28(34)37-32(23-10-3-1-4-11-23)35-26-17-7-14-22-15-8-18-27(31(22)26)36(35)33(38(29)37)24-12-5-2-6-13-24;2*1-12-4-8-14(9-5-12)16(3)15-10-6-13(2)7-11-15;1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;2*1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-2/h2*3-31H,1-2H3;2*1-31H;2*1-21H;2*4-11H,1-3H3;3-10,15H,1-2H3;2*2-11H,1H3;1-10,13H;2*1H3
• InChIKey: GTUCHOXSLWSUOW-UHFFFAOYSA-N
• XLogP: 106.08
• TPSA: 49.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 36
• Heavy Atoms: 378
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	5099.82
LogP ≤ 5	106.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of bis(N,N-bis(4-methylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaen-8-amine);bis(8-bromo-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaene);bromomethane;bis(N,4-dimethyl-N-(4-methylphenyl)aniline);4-methyl-N-(4-methylphenyl)aniline;bis(N-methyl-N-phenylaniline);N-phenylaniline;bis(N,N,3,15-tetraphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaen-8-amine)?

The IUPAC name of bis(N,N-bis(4-methylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaen-8-amine);bis(8-bromo-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaene);bromomethane;bis(N,4-dimethyl-N-(4-methylphenyl)aniline);4-methyl-N-(4-methylphenyl)aniline;bis(N-methyl-N-phenylaniline);N-phenylaniline;bis(N,N,3,15-tetraphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaen-8-amine) (CID 158363856) is bis(N,N-bis(4-methylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaen-8-amine);bis(8-bromo-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaene);bromomethane;bis(N,4-dimethyl-N-(4-methylphenyl)aniline);4-methyl-N-(4-methylphenyl)aniline;bis(N-methyl-N-phenylaniline);N-phenylaniline;bis(N,N,3,15-tetraphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaen-8-amine).

What is the SMILES notation for bis(N,N-bis(4-methylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaen-8-amine);bis(8-bromo-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaene);bromomethane;bis(N,4-dimethyl-N-(4-methylphenyl)aniline);4-methyl-N-(4-methylphenyl)aniline;bis(N-methyl-N-phenylaniline);N-phenylaniline;bis(N,N,3,15-tetraphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaen-8-amine)?

The canonical SMILES for bis(N,N-bis(4-methylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaen-8-amine);bis(8-bromo-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaene);bromomethane;bis(N,4-dimethyl-N-(4-methylphenyl)aniline);4-methyl-N-(4-methylphenyl)aniline;bis(N-methyl-N-phenylaniline);N-phenylaniline;bis(N,N,3,15-tetraphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaen-8-amine) is Brc1ccc2c3c(-c4ccccc4)c4c5cccc6cccc(c4c(-c4ccccc4)c3c3cccc1c32)c65.Brc1ccc2c3c(-c4ccccc4)c4c5cccc6cccc(c4c(-c4ccccc4)c3c3cccc1c32)c65.CBr.CBr.CN(c1ccccc1)c1ccccc1.CN(c1ccccc1)c1ccccc1.Cc1ccc(N(C)c2ccc(C)cc2)cc1.Cc1ccc(N(C)c2ccc(C)cc2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc3c4c(-c5ccccc5)c5c6cccc7cccc(c5c(-c5ccccc5)c4c4cccc2c43)c76)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc3c4c(-c5ccccc5)c5c6cccc7cccc(c5c(-c5ccccc5)c4c4cccc2c43)c76)cc1.Cc1ccc(Nc2ccc(C)cc2)cc1.c1ccc(-c2c3c4cccc5cccc(c3c(-c3ccccc3)c3c6ccc(N(c7ccccc7)c7ccccc7)c7cccc(c23)c76)c54)cc1.c1ccc(-c2c3c4cccc5cccc(c3c(-c3ccccc3)c3c6ccc(N(c7ccccc7)c7ccccc7)c7cccc(c23)c76)c54)cc1.c1ccc(Nc2ccccc2)cc1.

What is the InChIKey of bis(N,N-bis(4-methylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaen-8-amine);bis(8-bromo-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaene);bromomethane;bis(N,4-dimethyl-N-(4-methylphenyl)aniline);4-methyl-N-(4-methylphenyl)aniline;bis(N-methyl-N-phenylaniline);N-phenylaniline;bis(N,N,3,15-tetraphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaen-8-amine)?

The InChIKey is GTUCHOXSLWSUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C52H35N.2C50H31N.2C38H21Br.2C15H17N.C14H15N.2C13H13N.C12H11N.2CH3Br/c2*1-32-22-26-37(27-23-32)53(38-28-24-33(2)25-29-38)44-31-30-43-48-39(44)18-11-21-42(48)51-46(35-12-5-3-6-13-35)49-40-19-9-16-34-17-10-20-41(45(34)40)50(49)47(52(43)51)36-14-7-4-8-15-36;2*1-5-16-33(17-6-1)44-47-38-27-13-20-32-21-14-28-39(43(32)38)48(47)45(34-18-7-2-8-19-34)50-41-30-31-42(37-26-15-29-40(46(37)41)49(44)50)51(35-22-9-3-10-23-35)36-24-11-4-12-25-36;2*39-30-21-20-29-34-25(30)16-9-19-28(34)37-32(23-10-3-1-4-11-23)35-26-17-7-14-22-15-8-18-27(31(22)26)36(35)33(38(29)37)24-12-5-2-6-13-24;2*1-12-4-8-14(9-5-12)16(3)15-10-6-13(2)7-11-15;1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;2*1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-2/h2*3-31H,1-2H3;2*1-31H;2*1-21H;2*4-11H,1-3H3;3-10,15H,1-2H3;2*2-11H,1H3;1-10,13H;2*1H3.

What are the key properties of bis(N,N-bis(4-methylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaen-8-amine);bis(8-bromo-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaene);bromomethane;bis(N,4-dimethyl-N-(4-methylphenyl)aniline);4-methyl-N-(4-methylphenyl)aniline;bis(N-methyl-N-phenylaniline);N-phenylaniline;bis(N,N,3,15-tetraphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaen-8-amine)?

bis(N,N-bis(4-methylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaen-8-amine);bis(8-bromo-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaene);bromomethane;bis(N,4-dimethyl-N-(4-methylphenyl)aniline);4-methyl-N-(4-methylphenyl)aniline;bis(N-methyl-N-phenylaniline);N-phenylaniline;bis(N,N,3,15-tetraphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaen-8-amine) has a molecular weight of 5099.82 g/mol, XLogP of 106.08, 36 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for bis(N,N-bis(4-methylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaen-8-amine);bis(8-bromo-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaene);bromomethane;bis(N,4-dimethyl-N-(4-methylphenyl)aniline);4-methyl-N-(4-methylphenyl)aniline;bis(N-methyl-N-phenylaniline);N-phenylaniline;bis(N,N,3,15-tetraphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaen-8-amine) is sourced from PubChem (CID 158363856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).