10-N-(4-tert-butylphenyl)-18-N-[4-[2-[4-(4-methyl-N-[18-(4-methyl-N-(4-methylphenyl)anilino)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12,14,16(27),17,19,21,23,25-tridecaen-10-yl]anilino)phenyl]propan-2-yl]phenyl]-10-N,18-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine

C110H84N6 — CID 167091828

About 10-N-(4-tert-butylphenyl)-18-N-[4-[2-[4-(4-methyl-N-[18-(4-methyl-N-(4-methylphenyl)anilino)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12,14,16(27),17,19,21,23,25-tridecaen-10-yl]anilino)phenyl]propan-2-yl]phenyl]-10-N,18-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine

10-N-(4-tert-butylphenyl)-18-N-[4-[2-[4-(4-methyl-N-[18-(4-methyl-N-(4-methylphenyl)anilino)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12,14,16(27),17,19,21,23,25-tridecaen-10-yl]anilino)phenyl]propan-2-yl]phenyl]-10-N,18-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine (PubChem CID 167091828) has the molecular formula C110H84N6 and a molecular weight of 1489.92 g/mol. Its IUPAC name is 10-N-(4-tert-butylphenyl)-18-N-[4-[2-[4-(4-methyl-N-[18-(4-methyl-N-(4-methylphenyl)anilino)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12,14,16(27),17,19,21,23,25-tridecaen-10-yl]anilino)phenyl]propan-2-yl]phenyl]-10-N,18-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine.

Molecular Properties

• Compound Name: 10-N-(4-tert-butylphenyl)-18-N-[4-[2-[4-(4-methyl-N-[18-(4-methyl-N-(4-methylphenyl)anilino)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12,14,16(27),17,19,21,23,25-tridecaen-10-yl]anilino)phenyl]propan-2-yl]phenyl]-10-N,18-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine
• PubChem CID: 167091828
• Molecular Formula: C110H84N6
• Molecular Weight: 1489.92 g/mol
• Exact Mass: 1488.68
• IUPAC Name: 10-N-(4-tert-butylphenyl)-18-N-[4-[2-[4-(4-methyl-N-[18-(4-methyl-N-(4-methylphenyl)anilino)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12,14,16(27),17,19,21,23,25-tridecaen-10-yl]anilino)phenyl]propan-2-yl]phenyl]-10-N,18-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine
• SMILES: Cc1ccc(N(c2ccc(C)cc2)c2c3ccccc3cc3c2c2cccc4c5c(N(c6ccc(C)cc6)c6ccc(C(C)(C)c7ccc(N(c8ccccc8)c8c9ccccc9cc9c8c8cccc%10c%11c(N(c%12ccccc%12)c%12ccc(C(C)(C)C)cc%12)c%12ccccc%12cc%11n9c%108)cc7)cc6)c6ccccc6cc5n3c24)cc1
• InChI: InChI=1S/C110H84N6/c1-69-41-53-81(54-42-69)113(82-55-43-70(2)44-56-82)107-89-35-21-17-27-74(89)67-97-101(107)93-39-24-40-94-102-98(116(97)104(93)94)68-75-28-18-22-36-90(75)108(102)114(83-57-45-71(3)46-58-83)86-63-51-78(52-64-86)110(7,8)77-49-61-85(62-50-77)112(80-31-13-10-14-32-80)106-88-34-20-16-26-73(88)66-96-100(106)92-38-23-37-91-99-95(115(96)103(91)92)65-72-25-15-19-33-87(72)105(99)111(79-29-11-9-12-30-79)84-59-47-76(48-60-84)109(4,5)6/h9-68H,1-8H3
• InChIKey: MUBNTNZXAWBZNP-UHFFFAOYSA-N
• XLogP: 31.03
• TPSA: 21.78 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1489.92
LogP ≤ 5	31.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 10-N-(4-tert-butylphenyl)-18-N-[4-[2-[4-(4-methyl-N-[18-(4-methyl-N-(4-methylphenyl)anilino)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12,14,16(27),17,19,21,23,25-tridecaen-10-yl]anilino)phenyl]propan-2-yl]phenyl]-10-N,18-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine?

The IUPAC name of 10-N-(4-tert-butylphenyl)-18-N-[4-[2-[4-(4-methyl-N-[18-(4-methyl-N-(4-methylphenyl)anilino)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12,14,16(27),17,19,21,23,25-tridecaen-10-yl]anilino)phenyl]propan-2-yl]phenyl]-10-N,18-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine (CID 167091828) is 10-N-(4-tert-butylphenyl)-18-N-[4-[2-[4-(4-methyl-N-[18-(4-methyl-N-(4-methylphenyl)anilino)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12,14,16(27),17,19,21,23,25-tridecaen-10-yl]anilino)phenyl]propan-2-yl]phenyl]-10-N,18-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine.

What is the SMILES notation for 10-N-(4-tert-butylphenyl)-18-N-[4-[2-[4-(4-methyl-N-[18-(4-methyl-N-(4-methylphenyl)anilino)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12,14,16(27),17,19,21,23,25-tridecaen-10-yl]anilino)phenyl]propan-2-yl]phenyl]-10-N,18-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine?

The canonical SMILES for 10-N-(4-tert-butylphenyl)-18-N-[4-[2-[4-(4-methyl-N-[18-(4-methyl-N-(4-methylphenyl)anilino)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12,14,16(27),17,19,21,23,25-tridecaen-10-yl]anilino)phenyl]propan-2-yl]phenyl]-10-N,18-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine is Cc1ccc(N(c2ccc(C)cc2)c2c3ccccc3cc3c2c2cccc4c5c(N(c6ccc(C)cc6)c6ccc(C(C)(C)c7ccc(N(c8ccccc8)c8c9ccccc9cc9c8c8cccc%10c%11c(N(c%12ccccc%12)c%12ccc(C(C)(C)C)cc%12)c%12ccccc%12cc%11n9c%108)cc7)cc6)c6ccccc6cc5n3c24)cc1.

What is the InChIKey of 10-N-(4-tert-butylphenyl)-18-N-[4-[2-[4-(4-methyl-N-[18-(4-methyl-N-(4-methylphenyl)anilino)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12,14,16(27),17,19,21,23,25-tridecaen-10-yl]anilino)phenyl]propan-2-yl]phenyl]-10-N,18-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine?

The InChIKey is MUBNTNZXAWBZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C110H84N6/c1-69-41-53-81(54-42-69)113(82-55-43-70(2)44-56-82)107-89-35-21-17-27-74(89)67-97-101(107)93-39-24-40-94-102-98(116(97)104(93)94)68-75-28-18-22-36-90(75)108(102)114(83-57-45-71(3)46-58-83)86-63-51-78(52-64-86)110(7,8)77-49-61-85(62-50-77)112(80-31-13-10-14-32-80)106-88-34-20-16-26-73(88)66-96-100(106)92-38-23-37-91-99-95(115(96)103(91)92)65-72-25-15-19-33-87(72)105(99)111(79-29-11-9-12-30-79)84-59-47-76(48-60-84)109(4,5)6/h9-68H,1-8H3.

What are the key properties of 10-N-(4-tert-butylphenyl)-18-N-[4-[2-[4-(4-methyl-N-[18-(4-methyl-N-(4-methylphenyl)anilino)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12,14,16(27),17,19,21,23,25-tridecaen-10-yl]anilino)phenyl]propan-2-yl]phenyl]-10-N,18-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine?

10-N-(4-tert-butylphenyl)-18-N-[4-[2-[4-(4-methyl-N-[18-(4-methyl-N-(4-methylphenyl)anilino)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12,14,16(27),17,19,21,23,25-tridecaen-10-yl]anilino)phenyl]propan-2-yl]phenyl]-10-N,18-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine has a molecular weight of 1489.92 g/mol, XLogP of 31.03, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 10-N-(4-tert-butylphenyl)-18-N-[4-[2-[4-(4-methyl-N-[18-(4-methyl-N-(4-methylphenyl)anilino)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12,14,16(27),17,19,21,23,25-tridecaen-10-yl]anilino)phenyl]propan-2-yl]phenyl]-10-N,18-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine is sourced from PubChem (CID 167091828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).