9-N,22-N-bis(4-methylphenyl)-9-N,22-N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]heptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),2(28),3,5,7,9,11,13,15(27),16,18,20,22,24-tetradecaene-9,22-diamine;9-N,20-N-bis(4-methylphenyl)-9-N,20-N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene-9,20-diamine;9-N,9-N,20-N-tris(4-methylphenyl)-20-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene-9,20-diamine

C208H152N6 — CID 158909704

About 9-N,22-N-bis(4-methylphenyl)-9-N,22-N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]heptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),2(28),3,5,7,9,11,13,15(27),16,18,20,22,24-tetradecaene-9,22-diamine;9-N,20-N-bis(4-methylphenyl)-9-N,20-N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene-9,20-diamine;9-N,9-N,20-N-tris(4-methylphenyl)-20-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene-9,20-diamine

9-N,22-N-bis(4-methylphenyl)-9-N,22-N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]heptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),2(28),3,5,7,9,11,13,15(27),16,18,20,22,24-tetradecaene-9,22-diamine;9-N,20-N-bis(4-methylphenyl)-9-N,20-N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene-9,20-diamine;9-N,9-N,20-N-tris(4-methylphenyl)-20-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene-9,20-diamine (PubChem CID 158909704) has the molecular formula C208H152N6 and a molecular weight of 2735.55 g/mol. Its IUPAC name is 9-N,22-N-bis(4-methylphenyl)-9-N,22-N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]heptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),2(28),3,5,7,9,11,13,15(27),16,18,20,22,24-tetradecaene-9,22-diamine;9-N,20-N-bis(4-methylphenyl)-9-N,20-N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene-9,20-diamine;9-N,9-N,20-N-tris(4-methylphenyl)-20-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene-9,20-diamine.

Molecular Properties

• Compound Name: 9-N,22-N-bis(4-methylphenyl)-9-N,22-N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]heptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),2(28),3,5,7,9,11,13,15(27),16,18,20,22,24-tetradecaene-9,22-diamine;9-N,20-N-bis(4-methylphenyl)-9-N,20-N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene-9,20-diamine;9-N,9-N,20-N-tris(4-methylphenyl)-20-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene-9,20-diamine
• PubChem CID: 158909704
• Molecular Formula: C208H152N6
• Molecular Weight: 2735.55 g/mol
• Exact Mass: 2733.21
• IUPAC Name: 9-N,22-N-bis(4-methylphenyl)-9-N,22-N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]heptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),2(28),3,5,7,9,11,13,15(27),16,18,20,22,24-tetradecaene-9,22-diamine;9-N,20-N-bis(4-methylphenyl)-9-N,20-N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene-9,20-diamine;9-N,9-N,20-N-tris(4-methylphenyl)-20-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene-9,20-diamine
• SMILES: Cc1ccc(/C=C/c2ccc(N(c3ccc(C)cc3)c3c4cccc5c6cccc7c(N(c8ccc(C)cc8)c8ccc(/C=C/c9ccc(C)cc9)cc8)c8cccc9c%10cccc3c%10c(c45)c(c76)c89)cc2)cc1.Cc1ccc(/C=C/c2ccc(N(c3ccc(C)cc3)c3c4cccc5c6cccc7c(N(c8ccc(C)cc8)c8ccc(C)cc8)c8cccc9c%10cccc3c%10c(c45)c(c76)c89)cc2)cc1.Cc1ccc(/C=C/c2ccc(N(c3ccc(C)cc3)c3c4ccccc4c4c5cccc6c(N(c7ccc(C)cc7)c7ccc(/C=C/c8ccc(C)cc8)cc7)c7ccccc7c(c7cccc3c74)c65)cc2)cc1
• InChI: InChI=1S/C72H52N2.C72H54N2.C64H46N2/c1-45-17-25-49(26-18-45)29-31-51-33-41-55(42-34-51)73(53-37-21-47(3)22-38-53)71-61-13-5-9-57-59-11-7-15-63-67(59)70-68-60(58-10-6-14-62(71)66(58)69(70)65(57)61)12-8-16-64(68)72(63)74(54-39-23-48(4)24-40-54)56-43-35-52(36-44-56)32-30-50-27-19-46(2)20-28-50;1-47-19-27-51(28-20-47)31-33-53-35-43-57(44-36-53)73(55-39-23-49(3)24-40-55)71-61-13-7-5-11-59(61)67-64-16-10-18-66-70(64)68(63-15-9-17-65(71)69(63)67)60-12-6-8-14-62(60)72(66)74(56-41-25-50(4)26-42-56)58-45-37-54(38-46-58)34-32-52-29-21-48(2)22-30-52;1-39-17-25-43(26-18-39)27-28-44-29-37-48(38-30-44)66(47-35-23-42(4)24-36-47)64-55-15-7-11-51-49-9-5-13-53-57(49)61-58-50(52-12-8-16-56(64)60(52)62(61)59(51)55)10-6-14-54(58)63(53)65(45-31-19-40(2)20-32-45)46-33-21-41(3)22-34-46/h5-44H,1-4H3;5-46H,1-4H3;5-38H,1-4H3/b31-29+,32-30+;33-31+,34-32+;28-27+
• InChIKey: JGMIKQYVHBSTNY-ADVOCPHYSA-N
• XLogP: 59.56
• TPSA: 19.44 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 28
• Heavy Atoms: 214
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2735.55
LogP ≤ 5	59.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-N,22-N-bis(4-methylphenyl)-9-N,22-N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]heptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),2(28),3,5,7,9,11,13,15(27),16,18,20,22,24-tetradecaene-9,22-diamine;9-N,20-N-bis(4-methylphenyl)-9-N,20-N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene-9,20-diamine;9-N,9-N,20-N-tris(4-methylphenyl)-20-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene-9,20-diamine?

The IUPAC name of 9-N,22-N-bis(4-methylphenyl)-9-N,22-N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]heptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),2(28),3,5,7,9,11,13,15(27),16,18,20,22,24-tetradecaene-9,22-diamine;9-N,20-N-bis(4-methylphenyl)-9-N,20-N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene-9,20-diamine;9-N,9-N,20-N-tris(4-methylphenyl)-20-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene-9,20-diamine (CID 158909704) is 9-N,22-N-bis(4-methylphenyl)-9-N,22-N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]heptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),2(28),3,5,7,9,11,13,15(27),16,18,20,22,24-tetradecaene-9,22-diamine;9-N,20-N-bis(4-methylphenyl)-9-N,20-N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene-9,20-diamine;9-N,9-N,20-N-tris(4-methylphenyl)-20-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene-9,20-diamine.

What is the SMILES notation for 9-N,22-N-bis(4-methylphenyl)-9-N,22-N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]heptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),2(28),3,5,7,9,11,13,15(27),16,18,20,22,24-tetradecaene-9,22-diamine;9-N,20-N-bis(4-methylphenyl)-9-N,20-N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene-9,20-diamine;9-N,9-N,20-N-tris(4-methylphenyl)-20-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene-9,20-diamine?

The canonical SMILES for 9-N,22-N-bis(4-methylphenyl)-9-N,22-N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]heptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),2(28),3,5,7,9,11,13,15(27),16,18,20,22,24-tetradecaene-9,22-diamine;9-N,20-N-bis(4-methylphenyl)-9-N,20-N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene-9,20-diamine;9-N,9-N,20-N-tris(4-methylphenyl)-20-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene-9,20-diamine is Cc1ccc(/C=C/c2ccc(N(c3ccc(C)cc3)c3c4cccc5c6cccc7c(N(c8ccc(C)cc8)c8ccc(/C=C/c9ccc(C)cc9)cc8)c8cccc9c%10cccc3c%10c(c45)c(c76)c89)cc2)cc1.Cc1ccc(/C=C/c2ccc(N(c3ccc(C)cc3)c3c4cccc5c6cccc7c(N(c8ccc(C)cc8)c8ccc(C)cc8)c8cccc9c%10cccc3c%10c(c45)c(c76)c89)cc2)cc1.Cc1ccc(/C=C/c2ccc(N(c3ccc(C)cc3)c3c4ccccc4c4c5cccc6c(N(c7ccc(C)cc7)c7ccc(/C=C/c8ccc(C)cc8)cc7)c7ccccc7c(c7cccc3c74)c65)cc2)cc1.

What is the InChIKey of 9-N,22-N-bis(4-methylphenyl)-9-N,22-N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]heptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),2(28),3,5,7,9,11,13,15(27),16,18,20,22,24-tetradecaene-9,22-diamine;9-N,20-N-bis(4-methylphenyl)-9-N,20-N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene-9,20-diamine;9-N,9-N,20-N-tris(4-methylphenyl)-20-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene-9,20-diamine?

The InChIKey is JGMIKQYVHBSTNY-ADVOCPHYSA-N. The full InChI is InChI=1S/C72H52N2.C72H54N2.C64H46N2/c1-45-17-25-49(26-18-45)29-31-51-33-41-55(42-34-51)73(53-37-21-47(3)22-38-53)71-61-13-5-9-57-59-11-7-15-63-67(59)70-68-60(58-10-6-14-62(71)66(58)69(70)65(57)61)12-8-16-64(68)72(63)74(54-39-23-48(4)24-40-54)56-43-35-52(36-44-56)32-30-50-27-19-46(2)20-28-50;1-47-19-27-51(28-20-47)31-33-53-35-43-57(44-36-53)73(55-39-23-49(3)24-40-55)71-61-13-7-5-11-59(61)67-64-16-10-18-66-70(64)68(63-15-9-17-65(71)69(63)67)60-12-6-8-14-62(60)72(66)74(56-41-25-50(4)26-42-56)58-45-37-54(38-46-58)34-32-52-29-21-48(2)22-30-52;1-39-17-25-43(26-18-39)27-28-44-29-37-48(38-30-44)66(47-35-23-42(4)24-36-47)64-55-15-7-11-51-49-9-5-13-53-57(49)61-58-50(52-12-8-16-56(64)60(52)62(61)59(51)55)10-6-14-54(58)63(53)65(45-31-19-40(2)20-32-45)46-33-21-41(3)22-34-46/h5-44H,1-4H3;5-46H,1-4H3;5-38H,1-4H3/b31-29+,32-30+;33-31+,34-32+;28-27+.

What are the key properties of 9-N,22-N-bis(4-methylphenyl)-9-N,22-N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]heptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),2(28),3,5,7,9,11,13,15(27),16,18,20,22,24-tetradecaene-9,22-diamine;9-N,20-N-bis(4-methylphenyl)-9-N,20-N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene-9,20-diamine;9-N,9-N,20-N-tris(4-methylphenyl)-20-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene-9,20-diamine?

9-N,22-N-bis(4-methylphenyl)-9-N,22-N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]heptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),2(28),3,5,7,9,11,13,15(27),16,18,20,22,24-tetradecaene-9,22-diamine;9-N,20-N-bis(4-methylphenyl)-9-N,20-N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene-9,20-diamine;9-N,9-N,20-N-tris(4-methylphenyl)-20-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene-9,20-diamine has a molecular weight of 2735.55 g/mol, XLogP of 59.56, 28 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-N,22-N-bis(4-methylphenyl)-9-N,22-N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]heptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),2(28),3,5,7,9,11,13,15(27),16,18,20,22,24-tetradecaene-9,22-diamine;9-N,20-N-bis(4-methylphenyl)-9-N,20-N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene-9,20-diamine;9-N,9-N,20-N-tris(4-methylphenyl)-20-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene-9,20-diamine is sourced from PubChem (CID 158909704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).