10,10-dimethyl-14-N,21-N-diphenyl-14-N,21-N-di(pyrazin-2-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene-14,21-diamine

C43H32N6 — CID 88555520

About 10,10-dimethyl-14-N,21-N-diphenyl-14-N,21-N-di(pyrazin-2-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene-14,21-diamine

10,10-dimethyl-14-N,21-N-diphenyl-14-N,21-N-di(pyrazin-2-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene-14,21-diamine (PubChem CID 88555520) has the molecular formula C43H32N6 and a molecular weight of 632.77 g/mol. Its IUPAC name is 10,10-dimethyl-14-N,21-N-diphenyl-14-N,21-N-di(pyrazin-2-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene-14,21-diamine.

Molecular Properties

• Compound Name: 10,10-dimethyl-14-N,21-N-diphenyl-14-N,21-N-di(pyrazin-2-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene-14,21-diamine
• PubChem CID: 88555520
• Molecular Formula: C43H32N6
• Molecular Weight: 632.77 g/mol
• Exact Mass: 632.27
• IUPAC Name: 10,10-dimethyl-14-N,21-N-diphenyl-14-N,21-N-di(pyrazin-2-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene-14,21-diamine
• SMILES: CC1(C)c2ccccc2-c2cc3c(N(c4ccccc4)c4cnccn4)c4ccccc4c(N(c4ccccc4)c4cnccn4)c3cc21
• InChI: InChI=1S/C43H32N6/c1-43(2)37-20-12-11-17-31(37)34-25-35-36(26-38(34)43)42(49(30-15-7-4-8-16-30)40-28-45-22-24-47-40)33-19-10-9-18-32(33)41(35)48(29-13-5-3-6-14-29)39-27-44-21-23-46-39/h3-28H,1-2H3
• InChIKey: PWHCAYPLIBNKFN-UHFFFAOYSA-N
• XLogP: 10.82
• TPSA: 58.04 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	632.77
LogP ≤ 5	10.82
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,21-N-diphenyl-14-N,21-N-di(pyrazin-2-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene-14,21-diamine?

The IUPAC name of 10,10-dimethyl-14-N,21-N-diphenyl-14-N,21-N-di(pyrazin-2-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene-14,21-diamine (CID 88555520) is 10,10-dimethyl-14-N,21-N-diphenyl-14-N,21-N-di(pyrazin-2-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene-14,21-diamine.

What is the SMILES notation for 10,10-dimethyl-14-N,21-N-diphenyl-14-N,21-N-di(pyrazin-2-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene-14,21-diamine?

The canonical SMILES for 10,10-dimethyl-14-N,21-N-diphenyl-14-N,21-N-di(pyrazin-2-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene-14,21-diamine is CC1(C)c2ccccc2-c2cc3c(N(c4ccccc4)c4cnccn4)c4ccccc4c(N(c4ccccc4)c4cnccn4)c3cc21.

What is the InChIKey of 10,10-dimethyl-14-N,21-N-diphenyl-14-N,21-N-di(pyrazin-2-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene-14,21-diamine?

The InChIKey is PWHCAYPLIBNKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H32N6/c1-43(2)37-20-12-11-17-31(37)34-25-35-36(26-38(34)43)42(49(30-15-7-4-8-16-30)40-28-45-22-24-47-40)33-19-10-9-18-32(33)41(35)48(29-13-5-3-6-14-29)39-27-44-21-23-46-39/h3-28H,1-2H3.

What are the key properties of 10,10-dimethyl-14-N,21-N-diphenyl-14-N,21-N-di(pyrazin-2-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene-14,21-diamine?

10,10-dimethyl-14-N,21-N-diphenyl-14-N,21-N-di(pyrazin-2-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene-14,21-diamine has a molecular weight of 632.77 g/mol, XLogP of 10.82, 6 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,21-N-diphenyl-14-N,21-N-di(pyrazin-2-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene-14,21-diamine is sourced from PubChem (CID 88555520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).