9-N,23-N-bis(9,9-dimethylfluoren-4-yl)-9-N,23-N-diphenyl-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

C68H48N2O2 — CID 155359655

About 9-N,23-N-bis(9,9-dimethylfluoren-4-yl)-9-N,23-N-diphenyl-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(9,9-dimethylfluoren-4-yl)-9-N,23-N-diphenyl-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 155359655) has the molecular formula C68H48N2O2 and a molecular weight of 925.14 g/mol. Its IUPAC name is 9-N,23-N-bis(9,9-dimethylfluoren-4-yl)-9-N,23-N-diphenyl-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(9,9-dimethylfluoren-4-yl)-9-N,23-N-diphenyl-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: 155359655
• Molecular Formula: C68H48N2O2
• Molecular Weight: 925.14 g/mol
• Exact Mass: 924.37
• IUPAC Name: 9-N,23-N-bis(9,9-dimethylfluoren-4-yl)-9-N,23-N-diphenyl-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: CC1(C)c2ccccc2-c2c(N(c3ccccc3)c3ccc4cc5c(cc4c3)oc3cc4oc6cc7cc(N(c8ccccc8)c8cccc9c8-c8ccccc8C9(C)C)ccc7cc6c4cc35)cccc21
• InChI: InChI=1S/C68H48N2O2/c1-67(2)55-23-13-11-21-49(55)65-57(67)25-15-27-59(65)69(45-17-7-5-8-18-45)47-31-29-41-35-51-53-39-54-52-36-42-30-32-48(34-44(42)38-62(52)72-64(54)40-63(53)71-61(51)37-43(41)33-47)70(46-19-9-6-10-20-46)60-28-16-26-58-66(60)50-22-12-14-24-56(50)68(58,3)4/h5-40H,1-4H3
• InChIKey: HXETXEAWMYRINT-UHFFFAOYSA-N
• XLogP: 19.34
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	925.14
LogP ≤ 5	19.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9-N,23-N-bis(9,9-dimethylfluoren-4-yl)-9-N,23-N-diphenyl-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(9,9-dimethylfluoren-4-yl)-9-N,23-N-diphenyl-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 155359655) is 9-N,23-N-bis(9,9-dimethylfluoren-4-yl)-9-N,23-N-diphenyl-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(9,9-dimethylfluoren-4-yl)-9-N,23-N-diphenyl-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(9,9-dimethylfluoren-4-yl)-9-N,23-N-diphenyl-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 CC1(C)c2ccccc2-c2c(N(c3ccccc3)c3ccc4cc5c(cc4c3)oc3cc4oc6cc7cc(N(c8ccccc8)c8cccc9c8-c8ccccc8C9(C)C)ccc7cc6c4cc35)cccc21.

What is the InChIKey of 9-N,23-N-bis(9,9-dimethylfluoren-4-yl)-9-N,23-N-diphenyl-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 HXETXEAWMYRINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H48N2O2/c1-67(2)55-23-13-11-21-49(55)65-57(67)25-15-27-59(65)69(45-17-7-5-8-18-45)47-31-29-41-35-51-53-39-54-52-36-42-30-32-48(34-44(42)38-62(52)72-64(54)40-63(53)71-61(51)37-43(41)33-47)70(46-19-9-6-10-20-46)60-28-16-26-58-66(60)50-22-12-14-24-56(50)68(58,3)4/h5-40H,1-4H3.

What are the key properties of 9-N,23-N-bis(9,9-dimethylfluoren-4-yl)-9-N,23-N-diphenyl-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(9,9-dimethylfluoren-4-yl)-9-N,23-N-diphenyl-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 925.14 g/mol, XLogP of 19.34, 6 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(9,9-dimethylfluoren-4-yl)-9-N,23-N-diphenyl-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 155359655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).