8,23-dimethyl-4-N-phenyl-4-N,17-N-bis(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5(10),6,8,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine

C61H43N3O — CID 121476777

About 8,23-dimethyl-4-N-phenyl-4-N,17-N-bis(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5(10),6,8,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine

8,23-dimethyl-4-N-phenyl-4-N,17-N-bis(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5(10),6,8,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine (PubChem CID 121476777) has the molecular formula C61H43N3O and a molecular weight of 834.04 g/mol. Its IUPAC name is 8,23-dimethyl-4-N-phenyl-4-N,17-N-bis(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5(10),6,8,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine.

Molecular Properties

• Compound Name: 8,23-dimethyl-4-N-phenyl-4-N,17-N-bis(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5(10),6,8,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine
• PubChem CID: 121476777
• Molecular Formula: C61H43N3O
• Molecular Weight: 834.04 g/mol
• Exact Mass: 833.34
• IUPAC Name: 8,23-dimethyl-4-N-phenyl-4-N,17-N-bis(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5(10),6,8,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine
• SMILES: Cc1ccc2c(N(c3ccccc3)c3ccccc3-c3ccccc3)cc3c4cc(C)cc5c4c(cc3c2c1)-c1ccc(N(c2ccccn2)c2ccccc2-c2ccccc2)cc1O5
• InChI: InChI=1S/C61H43N3O/c1-40-29-31-48-50(34-40)51-38-54-49-32-30-45(64(60-28-16-17-33-62-60)56-27-15-13-25-47(56)43-20-8-4-9-21-43)37-58(49)65-59-36-41(2)35-53(61(54)59)52(51)39-57(48)63(44-22-10-5-11-23-44)55-26-14-12-24-46(55)42-18-6-3-7-19-42/h3-39H,1-2H3
• InChIKey: WCSNSDBPIWRXTL-UHFFFAOYSA-N
• XLogP: 17.20
• TPSA: 28.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	834.04
LogP ≤ 5	17.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8,23-dimethyl-4-N-phenyl-4-N,17-N-bis(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5(10),6,8,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine?

The IUPAC name of 8,23-dimethyl-4-N-phenyl-4-N,17-N-bis(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5(10),6,8,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine (CID 121476777) is 8,23-dimethyl-4-N-phenyl-4-N,17-N-bis(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5(10),6,8,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine.

What is the SMILES notation for 8,23-dimethyl-4-N-phenyl-4-N,17-N-bis(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5(10),6,8,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine?

The canonical SMILES for 8,23-dimethyl-4-N-phenyl-4-N,17-N-bis(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5(10),6,8,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine is Cc1ccc2c(N(c3ccccc3)c3ccccc3-c3ccccc3)cc3c4cc(C)cc5c4c(cc3c2c1)-c1ccc(N(c2ccccn2)c2ccccc2-c2ccccc2)cc1O5.

What is the InChIKey of 8,23-dimethyl-4-N-phenyl-4-N,17-N-bis(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5(10),6,8,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine?

The InChIKey is WCSNSDBPIWRXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H43N3O/c1-40-29-31-48-50(34-40)51-38-54-49-32-30-45(64(60-28-16-17-33-62-60)56-27-15-13-25-47(56)43-20-8-4-9-21-43)37-58(49)65-59-36-41(2)35-53(61(54)59)52(51)39-57(48)63(44-22-10-5-11-23-44)55-26-14-12-24-46(55)42-18-6-3-7-19-42/h3-39H,1-2H3.

What are the key properties of 8,23-dimethyl-4-N-phenyl-4-N,17-N-bis(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5(10),6,8,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine?

8,23-dimethyl-4-N-phenyl-4-N,17-N-bis(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5(10),6,8,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine has a molecular weight of 834.04 g/mol, XLogP of 17.20, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8,23-dimethyl-4-N-phenyl-4-N,17-N-bis(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5(10),6,8,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine is sourced from PubChem (CID 121476777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).