10,10-dimethyl-7-N,14-N,18-N,21-N-tetrakis(4-propan-2-ylphenyl)-7-N,14-N,18-N,21-N-tetrapyridin-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine

C79H74N8 — CID 88555753

About 10,10-dimethyl-7-N,14-N,18-N,21-N-tetrakis(4-propan-2-ylphenyl)-7-N,14-N,18-N,21-N-tetrapyridin-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine

10,10-dimethyl-7-N,14-N,18-N,21-N-tetrakis(4-propan-2-ylphenyl)-7-N,14-N,18-N,21-N-tetrapyridin-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine (PubChem CID 88555753) has the molecular formula C79H74N8 and a molecular weight of 1135.52 g/mol. Its IUPAC name is 10,10-dimethyl-7-N,14-N,18-N,21-N-tetrakis(4-propan-2-ylphenyl)-7-N,14-N,18-N,21-N-tetrapyridin-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine.

Molecular Properties

• Compound Name: 10,10-dimethyl-7-N,14-N,18-N,21-N-tetrakis(4-propan-2-ylphenyl)-7-N,14-N,18-N,21-N-tetrapyridin-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine
• PubChem CID: 88555753
• Molecular Formula: C79H74N8
• Molecular Weight: 1135.52 g/mol
• Exact Mass: 1134.60
• IUPAC Name: 10,10-dimethyl-7-N,14-N,18-N,21-N-tetrakis(4-propan-2-ylphenyl)-7-N,14-N,18-N,21-N-tetrapyridin-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine
• SMILES: CC(C)c1ccc(N(c2ccc3c(c2)C(C)(C)c2cc4c(N(c5ccc(C(C)C)cc5)c5ccccn5)c5ccc(N(c6ccc(C(C)C)cc6)c6ccccn6)cc5c(N(c5ccc(C(C)C)cc5)c5ccccn5)c4cc2-3)c2ccccn2)cc1
• InChI: InChI=1S/C79H74N8/c1-51(2)55-23-31-59(32-24-55)84(73-19-11-15-43-80-73)63-40-42-66-68(47-63)78(87(76-22-14-18-46-83-76)62-37-29-58(30-38-62)54(7)8)69-49-67-65-41-39-64(85(74-20-12-16-44-81-74)60-33-25-56(26-34-60)52(3)4)48-71(65)79(9,10)72(67)50-70(69)77(66)86(75-21-13-17-45-82-75)61-35-27-57(28-36-61)53(5)6/h11-54H,1-10H3
• InChIKey: ZCBCHDUVEFCXFF-UHFFFAOYSA-N
• XLogP: 22.25
• TPSA: 64.52 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 16
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1135.52
LogP ≤ 5	22.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-7-N,14-N,18-N,21-N-tetrakis(4-propan-2-ylphenyl)-7-N,14-N,18-N,21-N-tetrapyridin-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine?

The IUPAC name of 10,10-dimethyl-7-N,14-N,18-N,21-N-tetrakis(4-propan-2-ylphenyl)-7-N,14-N,18-N,21-N-tetrapyridin-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine (CID 88555753) is 10,10-dimethyl-7-N,14-N,18-N,21-N-tetrakis(4-propan-2-ylphenyl)-7-N,14-N,18-N,21-N-tetrapyridin-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine.

What is the SMILES notation for 10,10-dimethyl-7-N,14-N,18-N,21-N-tetrakis(4-propan-2-ylphenyl)-7-N,14-N,18-N,21-N-tetrapyridin-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine?

The canonical SMILES for 10,10-dimethyl-7-N,14-N,18-N,21-N-tetrakis(4-propan-2-ylphenyl)-7-N,14-N,18-N,21-N-tetrapyridin-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine is CC(C)c1ccc(N(c2ccc3c(c2)C(C)(C)c2cc4c(N(c5ccc(C(C)C)cc5)c5ccccn5)c5ccc(N(c6ccc(C(C)C)cc6)c6ccccn6)cc5c(N(c5ccc(C(C)C)cc5)c5ccccn5)c4cc2-3)c2ccccn2)cc1.

What is the InChIKey of 10,10-dimethyl-7-N,14-N,18-N,21-N-tetrakis(4-propan-2-ylphenyl)-7-N,14-N,18-N,21-N-tetrapyridin-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine?

The InChIKey is ZCBCHDUVEFCXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H74N8/c1-51(2)55-23-31-59(32-24-55)84(73-19-11-15-43-80-73)63-40-42-66-68(47-63)78(87(76-22-14-18-46-83-76)62-37-29-58(30-38-62)54(7)8)69-49-67-65-41-39-64(85(74-20-12-16-44-81-74)60-33-25-56(26-34-60)52(3)4)48-71(65)79(9,10)72(67)50-70(69)77(66)86(75-21-13-17-45-82-75)61-35-27-57(28-36-61)53(5)6/h11-54H,1-10H3.

What are the key properties of 10,10-dimethyl-7-N,14-N,18-N,21-N-tetrakis(4-propan-2-ylphenyl)-7-N,14-N,18-N,21-N-tetrapyridin-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine?

10,10-dimethyl-7-N,14-N,18-N,21-N-tetrakis(4-propan-2-ylphenyl)-7-N,14-N,18-N,21-N-tetrapyridin-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine has a molecular weight of 1135.52 g/mol, XLogP of 22.25, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 10,10-dimethyl-7-N,14-N,18-N,21-N-tetrakis(4-propan-2-ylphenyl)-7-N,14-N,18-N,21-N-tetrapyridin-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine is sourced from PubChem (CID 88555753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).