9-N,23-N-bis(3,5-dimethylphenyl)-9-N,23-N-diphenyl-16-propan-2-yl-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

C57H46N2O2 — CID 155361632

About 9-N,23-N-bis(3,5-dimethylphenyl)-9-N,23-N-diphenyl-16-propan-2-yl-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(3,5-dimethylphenyl)-9-N,23-N-diphenyl-16-propan-2-yl-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 155361632) has the molecular formula C57H46N2O2 and a molecular weight of 791.01 g/mol. Its IUPAC name is 9-N,23-N-bis(3,5-dimethylphenyl)-9-N,23-N-diphenyl-16-propan-2-yl-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(3,5-dimethylphenyl)-9-N,23-N-diphenyl-16-propan-2-yl-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: 155361632
• Molecular Formula: C57H46N2O2
• Molecular Weight: 791.01 g/mol
• Exact Mass: 790.36
• IUPAC Name: 9-N,23-N-bis(3,5-dimethylphenyl)-9-N,23-N-diphenyl-16-propan-2-yl-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: Cc1cc(C)cc(N(c2ccccc2)c2ccc3cc4c(cc3c2)oc2c(C(C)C)c3oc5cc6cc(N(c7ccccc7)c7cc(C)cc(C)c7)ccc6cc5c3cc24)c1
• InChI: InChI=1S/C57H46N2O2/c1-34(2)55-56-51(49-29-39-17-19-45(27-41(39)31-53(49)60-56)58(43-13-9-7-10-14-43)47-23-35(3)21-36(4)24-47)33-52-50-30-40-18-20-46(28-42(40)32-54(50)61-57(52)55)59(44-15-11-8-12-16-44)48-25-37(5)22-38(6)26-48/h7-34H,1-6H3
• InChIKey: OMCOIUNJYUNDEQ-UHFFFAOYSA-N
• XLogP: 17.09
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	791.01
LogP ≤ 5	17.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9-N,23-N-bis(3,5-dimethylphenyl)-9-N,23-N-diphenyl-16-propan-2-yl-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(3,5-dimethylphenyl)-9-N,23-N-diphenyl-16-propan-2-yl-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 155361632) is 9-N,23-N-bis(3,5-dimethylphenyl)-9-N,23-N-diphenyl-16-propan-2-yl-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(3,5-dimethylphenyl)-9-N,23-N-diphenyl-16-propan-2-yl-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(3,5-dimethylphenyl)-9-N,23-N-diphenyl-16-propan-2-yl-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 Cc1cc(C)cc(N(c2ccccc2)c2ccc3cc4c(cc3c2)oc2c(C(C)C)c3oc5cc6cc(N(c7ccccc7)c7cc(C)cc(C)c7)ccc6cc5c3cc24)c1.

What is the InChIKey of 9-N,23-N-bis(3,5-dimethylphenyl)-9-N,23-N-diphenyl-16-propan-2-yl-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 OMCOIUNJYUNDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H46N2O2/c1-34(2)55-56-51(49-29-39-17-19-45(27-41(39)31-53(49)60-56)58(43-13-9-7-10-14-43)47-23-35(3)21-36(4)24-47)33-52-50-30-40-18-20-46(28-42(40)32-54(50)61-57(52)55)59(44-15-11-8-12-16-44)48-25-37(5)22-38(6)26-48/h7-34H,1-6H3.

What are the key properties of 9-N,23-N-bis(3,5-dimethylphenyl)-9-N,23-N-diphenyl-16-propan-2-yl-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(3,5-dimethylphenyl)-9-N,23-N-diphenyl-16-propan-2-yl-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 791.01 g/mol, XLogP of 17.09, 7 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(3,5-dimethylphenyl)-9-N,23-N-diphenyl-16-propan-2-yl-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 155361632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).