5-N,18-N-bis[4-(cyclohexylidenemethyl)phenyl]-5-N,18-N-bis(4-methylphenyl)octacyclo[12.12.2.12,6.115,19.011,27.024,28.010,30.023,29]triaconta-1(27),2,4,6,8,10(30),11,13,15,17,19,21,23(29),24(28),25-pentadecaene-5,18-diamine

C70H58N2 — CID 20733639

About 5-N,18-N-bis[4-(cyclohexylidenemethyl)phenyl]-5-N,18-N-bis(4-methylphenyl)octacyclo[12.12.2.12,6.115,19.011,27.024,28.010,30.023,29]triaconta-1(27),2,4,6,8,10(30),11,13,15,17,19,21,23(29),24(28),25-pentadecaene-5,18-diamine

5-N,18-N-bis[4-(cyclohexylidenemethyl)phenyl]-5-N,18-N-bis(4-methylphenyl)octacyclo[12.12.2.12,6.115,19.011,27.024,28.010,30.023,29]triaconta-1(27),2,4,6,8,10(30),11,13,15,17,19,21,23(29),24(28),25-pentadecaene-5,18-diamine (PubChem CID 20733639) has the molecular formula C70H58N2 and a molecular weight of 927.25 g/mol. Its IUPAC name is 5-N,18-N-bis[4-(cyclohexylidenemethyl)phenyl]-5-N,18-N-bis(4-methylphenyl)octacyclo[12.12.2.12,6.115,19.011,27.024,28.010,30.023,29]triaconta-1(27),2,4,6,8,10(30),11,13,15,17,19,21,23(29),24(28),25-pentadecaene-5,18-diamine.

Molecular Properties

• Compound Name: 5-N,18-N-bis[4-(cyclohexylidenemethyl)phenyl]-5-N,18-N-bis(4-methylphenyl)octacyclo[12.12.2.12,6.115,19.011,27.024,28.010,30.023,29]triaconta-1(27),2,4,6,8,10(30),11,13,15,17,19,21,23(29),24(28),25-pentadecaene-5,18-diamine
• PubChem CID: 20733639
• Molecular Formula: C70H58N2
• Molecular Weight: 927.25 g/mol
• Exact Mass: 926.46
• IUPAC Name: 5-N,18-N-bis[4-(cyclohexylidenemethyl)phenyl]-5-N,18-N-bis(4-methylphenyl)octacyclo[12.12.2.12,6.115,19.011,27.024,28.010,30.023,29]triaconta-1(27),2,4,6,8,10(30),11,13,15,17,19,21,23(29),24(28),25-pentadecaene-5,18-diamine
• SMILES: Cc1ccc(N(c2ccc(C=C3CCCCC3)cc2)c2ccc3c4ccc5c6cccc7c(N(c8ccc(C)cc8)c8ccc(C=C9CCCCC9)cc8)ccc(c8ccc(c9cccc2c93)c4c58)c76)cc1
• InChI: InChI=1S/C70H58N2/c1-45-19-27-51(28-20-45)71(53-31-23-49(24-32-53)43-47-11-5-3-6-12-47)65-41-39-57-61-37-36-60-56-16-10-18-64-66(42-40-58(68(56)64)62-38-35-59(69(61)70(60)62)55-15-9-17-63(65)67(55)57)72(52-29-21-46(2)22-30-52)54-33-25-50(26-34-54)44-48-13-7-4-8-14-48/h9-10,15-44H,3-8,11-14H2,1-2H3
• InChIKey: AQSZJQLHSNMEGV-UHFFFAOYSA-N
• XLogP: 20.89
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	927.25
LogP ≤ 5	20.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-N,18-N-bis[4-(cyclohexylidenemethyl)phenyl]-5-N,18-N-bis(4-methylphenyl)octacyclo[12.12.2.12,6.115,19.011,27.024,28.010,30.023,29]triaconta-1(27),2,4,6,8,10(30),11,13,15,17,19,21,23(29),24(28),25-pentadecaene-5,18-diamine?

The IUPAC name of 5-N,18-N-bis[4-(cyclohexylidenemethyl)phenyl]-5-N,18-N-bis(4-methylphenyl)octacyclo[12.12.2.12,6.115,19.011,27.024,28.010,30.023,29]triaconta-1(27),2,4,6,8,10(30),11,13,15,17,19,21,23(29),24(28),25-pentadecaene-5,18-diamine (CID 20733639) is 5-N,18-N-bis[4-(cyclohexylidenemethyl)phenyl]-5-N,18-N-bis(4-methylphenyl)octacyclo[12.12.2.12,6.115,19.011,27.024,28.010,30.023,29]triaconta-1(27),2,4,6,8,10(30),11,13,15,17,19,21,23(29),24(28),25-pentadecaene-5,18-diamine.

What is the SMILES notation for 5-N,18-N-bis[4-(cyclohexylidenemethyl)phenyl]-5-N,18-N-bis(4-methylphenyl)octacyclo[12.12.2.12,6.115,19.011,27.024,28.010,30.023,29]triaconta-1(27),2,4,6,8,10(30),11,13,15,17,19,21,23(29),24(28),25-pentadecaene-5,18-diamine?

The canonical SMILES for 5-N,18-N-bis[4-(cyclohexylidenemethyl)phenyl]-5-N,18-N-bis(4-methylphenyl)octacyclo[12.12.2.12,6.115,19.011,27.024,28.010,30.023,29]triaconta-1(27),2,4,6,8,10(30),11,13,15,17,19,21,23(29),24(28),25-pentadecaene-5,18-diamine is Cc1ccc(N(c2ccc(C=C3CCCCC3)cc2)c2ccc3c4ccc5c6cccc7c(N(c8ccc(C)cc8)c8ccc(C=C9CCCCC9)cc8)ccc(c8ccc(c9cccc2c93)c4c58)c76)cc1.

What is the InChIKey of 5-N,18-N-bis[4-(cyclohexylidenemethyl)phenyl]-5-N,18-N-bis(4-methylphenyl)octacyclo[12.12.2.12,6.115,19.011,27.024,28.010,30.023,29]triaconta-1(27),2,4,6,8,10(30),11,13,15,17,19,21,23(29),24(28),25-pentadecaene-5,18-diamine?

The InChIKey is AQSZJQLHSNMEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H58N2/c1-45-19-27-51(28-20-45)71(53-31-23-49(24-32-53)43-47-11-5-3-6-12-47)65-41-39-57-61-37-36-60-56-16-10-18-64-66(42-40-58(68(56)64)62-38-35-59(69(61)70(60)62)55-15-9-17-63(65)67(55)57)72(52-29-21-46(2)22-30-52)54-33-25-50(26-34-54)44-48-13-7-4-8-14-48/h9-10,15-44H,3-8,11-14H2,1-2H3.

What are the key properties of 5-N,18-N-bis[4-(cyclohexylidenemethyl)phenyl]-5-N,18-N-bis(4-methylphenyl)octacyclo[12.12.2.12,6.115,19.011,27.024,28.010,30.023,29]triaconta-1(27),2,4,6,8,10(30),11,13,15,17,19,21,23(29),24(28),25-pentadecaene-5,18-diamine?

5-N,18-N-bis[4-(cyclohexylidenemethyl)phenyl]-5-N,18-N-bis(4-methylphenyl)octacyclo[12.12.2.12,6.115,19.011,27.024,28.010,30.023,29]triaconta-1(27),2,4,6,8,10(30),11,13,15,17,19,21,23(29),24(28),25-pentadecaene-5,18-diamine has a molecular weight of 927.25 g/mol, XLogP of 20.89, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N,18-N-bis[4-(cyclohexylidenemethyl)phenyl]-5-N,18-N-bis(4-methylphenyl)octacyclo[12.12.2.12,6.115,19.011,27.024,28.010,30.023,29]triaconta-1(27),2,4,6,8,10(30),11,13,15,17,19,21,23(29),24(28),25-pentadecaene-5,18-diamine is sourced from PubChem (CID 20733639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).