9-N,23-N-bis(9-phenylcarbazol-3-yl)-9-N,23-N-bis(4-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine

C80H58N4O2 — CID 155359528

About 9-N,23-N-bis(9-phenylcarbazol-3-yl)-9-N,23-N-bis(4-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine

9-N,23-N-bis(9-phenylcarbazol-3-yl)-9-N,23-N-bis(4-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine (PubChem CID 155359528) has the molecular formula C80H58N4O2 and a molecular weight of 1107.37 g/mol. Its IUPAC name is 9-N,23-N-bis(9-phenylcarbazol-3-yl)-9-N,23-N-bis(4-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine.

Molecular Properties

• Compound Name: 9-N,23-N-bis(9-phenylcarbazol-3-yl)-9-N,23-N-bis(4-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine
• PubChem CID: 155359528
• Molecular Formula: C80H58N4O2
• Molecular Weight: 1107.37 g/mol
• Exact Mass: 1106.46
• IUPAC Name: 9-N,23-N-bis(9-phenylcarbazol-3-yl)-9-N,23-N-bis(4-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine
• SMILES: CC(C)c1ccc(N(c2ccc3c(ccc4c5cc6oc7c8ccc(N(c9ccc(C(C)C)cc9)c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)cc8ccc7c6cc5oc34)c2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
• InChI: InChI=1S/C80H58N4O2/c1-49(2)51-23-29-57(30-24-51)81(61-35-41-75-69(45-61)65-19-11-13-21-73(65)83(75)55-15-7-5-8-16-55)59-33-39-63-53(43-59)27-37-67-71-47-78-72(48-77(71)85-79(63)67)68-38-28-54-44-60(34-40-64(54)80(68)86-78)82(58-31-25-52(26-32-58)50(3)4)62-36-42-76-70(46-62)66-20-12-14-22-74(66)84(76)56-17-9-6-10-18-56/h5-50H,1-4H3
• InChIKey: SIBGUIDKXMIXHN-UHFFFAOYSA-N
• XLogP: 23.17
• TPSA: 42.62 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1107.37
LogP ≤ 5	23.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-N,23-N-bis(9-phenylcarbazol-3-yl)-9-N,23-N-bis(4-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine?

The IUPAC name of 9-N,23-N-bis(9-phenylcarbazol-3-yl)-9-N,23-N-bis(4-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine (CID 155359528) is 9-N,23-N-bis(9-phenylcarbazol-3-yl)-9-N,23-N-bis(4-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine.

What is the SMILES notation for 9-N,23-N-bis(9-phenylcarbazol-3-yl)-9-N,23-N-bis(4-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine?

The canonical SMILES for 9-N,23-N-bis(9-phenylcarbazol-3-yl)-9-N,23-N-bis(4-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine is CC(C)c1ccc(N(c2ccc3c(ccc4c5cc6oc7c8ccc(N(c9ccc(C(C)C)cc9)c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)cc8ccc7c6cc5oc34)c2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.

What is the InChIKey of 9-N,23-N-bis(9-phenylcarbazol-3-yl)-9-N,23-N-bis(4-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine?

The InChIKey is SIBGUIDKXMIXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H58N4O2/c1-49(2)51-23-29-57(30-24-51)81(61-35-41-75-69(45-61)65-19-11-13-21-73(65)83(75)55-15-7-5-8-16-55)59-33-39-63-53(43-59)27-37-67-71-47-78-72(48-77(71)85-79(63)67)68-38-28-54-44-60(34-40-64(54)80(68)86-78)82(58-31-25-52(26-32-58)50(3)4)62-36-42-76-70(46-62)66-20-12-14-22-74(66)84(76)56-17-9-6-10-18-56/h5-50H,1-4H3.

What are the key properties of 9-N,23-N-bis(9-phenylcarbazol-3-yl)-9-N,23-N-bis(4-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine?

9-N,23-N-bis(9-phenylcarbazol-3-yl)-9-N,23-N-bis(4-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine has a molecular weight of 1107.37 g/mol, XLogP of 23.17, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-N,23-N-bis(9-phenylcarbazol-3-yl)-9-N,23-N-bis(4-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine is sourced from PubChem (CID 155359528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).