9-N,23-N-bis(2,6-dimethylphenyl)-16-methyl-9-N,23-N-bis(2-methyl-5-phenylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine

C69H54N2O2 — CID 155361531

About 9-N,23-N-bis(2,6-dimethylphenyl)-16-methyl-9-N,23-N-bis(2-methyl-5-phenylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine

9-N,23-N-bis(2,6-dimethylphenyl)-16-methyl-9-N,23-N-bis(2-methyl-5-phenylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine (PubChem CID 155361531) has the molecular formula C69H54N2O2 and a molecular weight of 943.20 g/mol. Its IUPAC name is 9-N,23-N-bis(2,6-dimethylphenyl)-16-methyl-9-N,23-N-bis(2-methyl-5-phenylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine.

Molecular Properties

• Compound Name: 9-N,23-N-bis(2,6-dimethylphenyl)-16-methyl-9-N,23-N-bis(2-methyl-5-phenylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
• PubChem CID: 155361531
• Molecular Formula: C69H54N2O2
• Molecular Weight: 943.20 g/mol
• Exact Mass: 942.42
• IUPAC Name: 9-N,23-N-bis(2,6-dimethylphenyl)-16-methyl-9-N,23-N-bis(2-methyl-5-phenylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
• SMILES: Cc1ccc(-c2ccccc2)cc1N(c1ccc2cc3c(cc2c1)oc1c(C)c2oc4cc5cc(N(c6cc(-c7ccccc7)ccc6C)c6c(C)cccc6C)ccc5cc4c2cc13)c1c(C)cccc1C
• InChI: InChI=1S/C69H54N2O2/c1-41-24-26-52(48-20-10-8-11-21-48)36-62(41)70(66-43(3)16-14-17-44(66)4)56-30-28-50-34-58-60-40-61-59-35-51-29-31-57(33-55(51)39-65(59)73-69(61)47(7)68(60)72-64(58)38-54(50)32-56)71(67-45(5)18-15-19-46(67)6)63-37-53(27-25-42(63)2)49-22-12-9-13-23-49/h8-40H,1-7H3
• InChIKey: WFNGTVFMUNDZGX-UHFFFAOYSA-N
• XLogP: 20.22
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	943.20
LogP ≤ 5	20.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9-N,23-N-bis(2,6-dimethylphenyl)-16-methyl-9-N,23-N-bis(2-methyl-5-phenylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine?

The IUPAC name of 9-N,23-N-bis(2,6-dimethylphenyl)-16-methyl-9-N,23-N-bis(2-methyl-5-phenylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine (CID 155361531) is 9-N,23-N-bis(2,6-dimethylphenyl)-16-methyl-9-N,23-N-bis(2-methyl-5-phenylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine.

What is the SMILES notation for 9-N,23-N-bis(2,6-dimethylphenyl)-16-methyl-9-N,23-N-bis(2-methyl-5-phenylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine?

The canonical SMILES for 9-N,23-N-bis(2,6-dimethylphenyl)-16-methyl-9-N,23-N-bis(2-methyl-5-phenylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine is Cc1ccc(-c2ccccc2)cc1N(c1ccc2cc3c(cc2c1)oc1c(C)c2oc4cc5cc(N(c6cc(-c7ccccc7)ccc6C)c6c(C)cccc6C)ccc5cc4c2cc13)c1c(C)cccc1C.

What is the InChIKey of 9-N,23-N-bis(2,6-dimethylphenyl)-16-methyl-9-N,23-N-bis(2-methyl-5-phenylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine?

The InChIKey is WFNGTVFMUNDZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H54N2O2/c1-41-24-26-52(48-20-10-8-11-21-48)36-62(41)70(66-43(3)16-14-17-44(66)4)56-30-28-50-34-58-60-40-61-59-35-51-29-31-57(33-55(51)39-65(59)73-69(61)47(7)68(60)72-64(58)38-54(50)32-56)71(67-45(5)18-15-19-46(67)6)63-37-53(27-25-42(63)2)49-22-12-9-13-23-49/h8-40H,1-7H3.

What are the key properties of 9-N,23-N-bis(2,6-dimethylphenyl)-16-methyl-9-N,23-N-bis(2-methyl-5-phenylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine?

9-N,23-N-bis(2,6-dimethylphenyl)-16-methyl-9-N,23-N-bis(2-methyl-5-phenylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine has a molecular weight of 943.20 g/mol, XLogP of 20.22, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-N,23-N-bis(2,6-dimethylphenyl)-16-methyl-9-N,23-N-bis(2-methyl-5-phenylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine is sourced from PubChem (CID 155361531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).