10,10-dimethyl-7-N,14-N,18-N,21-N-tetranaphthalen-1-yl-7-N,14-N,18-N,21-N-tetraphenylpentacyclo[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

C87H62N4 — CID 88555696

About 10,10-dimethyl-7-N,14-N,18-N,21-N-tetranaphthalen-1-yl-7-N,14-N,18-N,21-N-tetraphenylpentacyclo[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-tetranaphthalen-1-yl-7-N,14-N,18-N,21-N-tetraphenylpentacyclo[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 88555696) has the molecular formula C87H62N4 and a molecular weight of 1163.48 g/mol. Its IUPAC name is 10,10-dimethyl-7-N,14-N,18-N,21-N-tetranaphthalen-1-yl-7-N,14-N,18-N,21-N-tetraphenylpentacyclo[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-tetranaphthalen-1-yl-7-N,14-N,18-N,21-N-tetraphenylpentacyclo[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: 88555696
• Molecular Formula: C87H62N4
• Molecular Weight: 1163.48 g/mol
• Exact Mass: 1162.50
• IUPAC Name: 10,10-dimethyl-7-N,14-N,18-N,21-N-tetranaphthalen-1-yl-7-N,14-N,18-N,21-N-tetraphenylpentacyclo[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: CC1(C)c2cc(N(c3ccccc3)c3cccc4ccccc34)ccc2-c2cc3c(N(c4ccccc4)c4cccc5ccccc45)c4cc(N(c5ccccc5)c5cccc6ccccc56)ccc4c(N(c4ccccc4)c4cccc5ccccc45)c3cc21
• InChI: InChI=1S/C87H62N4/c1-87(2)79-56-68(89(64-37-9-4-10-38-64)82-48-24-32-60-28-16-20-44-70(60)82)51-53-73(79)75-57-77-78(58-80(75)87)85(90(65-39-11-5-12-40-65)83-49-25-33-61-29-17-21-45-71(61)83)74-54-52-67(88(63-35-7-3-8-36-63)81-47-23-31-59-27-15-19-43-69(59)81)55-76(74)86(77)91(66-41-13-6-14-42-66)84-50-26-34-62-30-18-22-46-72(62)84/h3-58H,1-2H3
• InChIKey: ZUAPYZRJYFFDEU-UHFFFAOYSA-N
• XLogP: 24.79
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1163.48
LogP ≤ 5	24.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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-tetranaphthalen-1-yl-7-N,14-N,18-N,21-N-tetraphenylpentacyclo[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-tetranaphthalen-1-yl-7-N,14-N,18-N,21-N-tetraphenylpentacyclo[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 88555696) is 10,10-dimethyl-7-N,14-N,18-N,21-N-tetranaphthalen-1-yl-7-N,14-N,18-N,21-N-tetraphenylpentacyclo[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-tetranaphthalen-1-yl-7-N,14-N,18-N,21-N-tetraphenylpentacyclo[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-tetranaphthalen-1-yl-7-N,14-N,18-N,21-N-tetraphenylpentacyclo[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 CC1(C)c2cc(N(c3ccccc3)c3cccc4ccccc34)ccc2-c2cc3c(N(c4ccccc4)c4cccc5ccccc45)c4cc(N(c5ccccc5)c5cccc6ccccc56)ccc4c(N(c4ccccc4)c4cccc5ccccc45)c3cc21.

What is the InChIKey of 10,10-dimethyl-7-N,14-N,18-N,21-N-tetranaphthalen-1-yl-7-N,14-N,18-N,21-N-tetraphenylpentacyclo[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 ZUAPYZRJYFFDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H62N4/c1-87(2)79-56-68(89(64-37-9-4-10-38-64)82-48-24-32-60-28-16-20-44-70(60)82)51-53-73(79)75-57-77-78(58-80(75)87)85(90(65-39-11-5-12-40-65)83-49-25-33-61-29-17-21-45-71(61)83)74-54-52-67(88(63-35-7-3-8-36-63)81-47-23-31-59-27-15-19-43-69(59)81)55-76(74)86(77)91(66-41-13-6-14-42-66)84-50-26-34-62-30-18-22-46-72(62)84/h3-58H,1-2H3.

What are the key properties of 10,10-dimethyl-7-N,14-N,18-N,21-N-tetranaphthalen-1-yl-7-N,14-N,18-N,21-N-tetraphenylpentacyclo[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-tetranaphthalen-1-yl-7-N,14-N,18-N,21-N-tetraphenylpentacyclo[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 1163.48 g/mol, XLogP of 24.79, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 10,10-dimethyl-7-N,14-N,18-N,21-N-tetranaphthalen-1-yl-7-N,14-N,18-N,21-N-tetraphenylpentacyclo[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 88555696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).