10,10-dimethyl-14-N,18-N,21-N-trinaphthalen-2-yl-14-N,18-N,21-N-tri(quinolin-6-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-14,18,21-triamine

C80H54N6 — CID 88555624

About 10,10-dimethyl-14-N,18-N,21-N-trinaphthalen-2-yl-14-N,18-N,21-N-tri(quinolin-6-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-14,18,21-triamine

10,10-dimethyl-14-N,18-N,21-N-trinaphthalen-2-yl-14-N,18-N,21-N-tri(quinolin-6-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-14,18,21-triamine (PubChem CID 88555624) has the molecular formula C80H54N6 and a molecular weight of 1099.35 g/mol. Its IUPAC name is 10,10-dimethyl-14-N,18-N,21-N-trinaphthalen-2-yl-14-N,18-N,21-N-tri(quinolin-6-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-14,18,21-triamine.

Molecular Properties

• Compound Name: 10,10-dimethyl-14-N,18-N,21-N-trinaphthalen-2-yl-14-N,18-N,21-N-tri(quinolin-6-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-14,18,21-triamine
• PubChem CID: 88555624
• Molecular Formula: C80H54N6
• Molecular Weight: 1099.35 g/mol
• Exact Mass: 1098.44
• IUPAC Name: 10,10-dimethyl-14-N,18-N,21-N-trinaphthalen-2-yl-14-N,18-N,21-N-tri(quinolin-6-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-14,18,21-triamine
• SMILES: CC1(C)c2ccccc2-c2cc3c(N(c4ccc5ccccc5c4)c4ccc5ncccc5c4)c4cc(N(c5ccc6ccccc6c5)c5ccc6ncccc6c5)ccc4c(N(c4ccc5ccccc5c4)c4ccc5ncccc5c4)c3cc21
• InChI: InChI=1S/C80H54N6/c1-80(2)73-24-10-9-23-67(73)69-49-71-72(50-74(69)80)78(85(62-29-26-52-15-4-7-18-55(52)43-62)64-33-37-76-58(46-64)21-12-40-82-76)68-35-31-66(84(60-28-25-51-14-3-6-17-54(51)42-60)61-32-36-75-57(45-61)20-11-39-81-75)48-70(68)79(71)86(63-30-27-53-16-5-8-19-56(53)44-63)65-34-38-77-59(47-65)22-13-41-83-77/h3-50H,1-2H3
• InChIKey: ZIPNOKGHMLIPIY-UHFFFAOYSA-N
• XLogP: 21.81
• TPSA: 48.39 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1099.35
LogP ≤ 5	21.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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-14-N,18-N,21-N-trinaphthalen-2-yl-14-N,18-N,21-N-tri(quinolin-6-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-14,18,21-triamine?

The IUPAC name of 10,10-dimethyl-14-N,18-N,21-N-trinaphthalen-2-yl-14-N,18-N,21-N-tri(quinolin-6-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-14,18,21-triamine (CID 88555624) is 10,10-dimethyl-14-N,18-N,21-N-trinaphthalen-2-yl-14-N,18-N,21-N-tri(quinolin-6-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-14,18,21-triamine.

What is the SMILES notation for 10,10-dimethyl-14-N,18-N,21-N-trinaphthalen-2-yl-14-N,18-N,21-N-tri(quinolin-6-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-14,18,21-triamine?

The canonical SMILES for 10,10-dimethyl-14-N,18-N,21-N-trinaphthalen-2-yl-14-N,18-N,21-N-tri(quinolin-6-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-14,18,21-triamine is CC1(C)c2ccccc2-c2cc3c(N(c4ccc5ccccc5c4)c4ccc5ncccc5c4)c4cc(N(c5ccc6ccccc6c5)c5ccc6ncccc6c5)ccc4c(N(c4ccc5ccccc5c4)c4ccc5ncccc5c4)c3cc21.

What is the InChIKey of 10,10-dimethyl-14-N,18-N,21-N-trinaphthalen-2-yl-14-N,18-N,21-N-tri(quinolin-6-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-14,18,21-triamine?

The InChIKey is ZIPNOKGHMLIPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H54N6/c1-80(2)73-24-10-9-23-67(73)69-49-71-72(50-74(69)80)78(85(62-29-26-52-15-4-7-18-55(52)43-62)64-33-37-76-58(46-64)21-12-40-82-76)68-35-31-66(84(60-28-25-51-14-3-6-17-54(51)42-60)61-32-36-75-57(45-61)20-11-39-81-75)48-70(68)79(71)86(63-30-27-53-16-5-8-19-56(53)44-63)65-34-38-77-59(47-65)22-13-41-83-77/h3-50H,1-2H3.

What are the key properties of 10,10-dimethyl-14-N,18-N,21-N-trinaphthalen-2-yl-14-N,18-N,21-N-tri(quinolin-6-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-14,18,21-triamine?

10,10-dimethyl-14-N,18-N,21-N-trinaphthalen-2-yl-14-N,18-N,21-N-tri(quinolin-6-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-14,18,21-triamine has a molecular weight of 1099.35 g/mol, XLogP of 21.81, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 10,10-dimethyl-14-N,18-N,21-N-trinaphthalen-2-yl-14-N,18-N,21-N-tri(quinolin-6-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-14,18,21-triamine is sourced from PubChem (CID 88555624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).