11-N,21-N-bis(9-phenylcarbazol-3-yl)-11-N,21-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine

C80H58N4O2 — CID 155360847

About 11-N,21-N-bis(9-phenylcarbazol-3-yl)-11-N,21-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine

11-N,21-N-bis(9-phenylcarbazol-3-yl)-11-N,21-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine (PubChem CID 155360847) has the molecular formula C80H58N4O2 and a molecular weight of 1107.37 g/mol. Its IUPAC name is 11-N,21-N-bis(9-phenylcarbazol-3-yl)-11-N,21-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine.

Molecular Properties

• Compound Name: 11-N,21-N-bis(9-phenylcarbazol-3-yl)-11-N,21-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine
• PubChem CID: 155360847
• Molecular Formula: C80H58N4O2
• Molecular Weight: 1107.37 g/mol
• Exact Mass: 1106.46
• IUPAC Name: 11-N,21-N-bis(9-phenylcarbazol-3-yl)-11-N,21-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine
• SMILES: CC(C)c1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2cc3oc4cc5oc6cc(N(c7ccc(C(C)C)cc7)c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c7ccccc7c6c5cc4c3c3ccccc23)cc1
• InChI: InChI=1S/C80H58N4O2/c1-49(2)51-31-35-55(36-32-51)81(57-39-41-71-65(43-57)61-25-15-17-29-69(61)83(71)53-19-7-5-8-20-53)73-46-77-79(63-27-13-11-23-59(63)73)67-45-68-76(48-75(67)85-77)86-78-47-74(60-24-12-14-28-64(60)80(68)78)82(56-37-33-52(34-38-56)50(3)4)58-40-42-72-66(44-58)62-26-16-18-30-70(62)84(72)54-21-9-6-10-22-54/h5-50H,1-4H3
• InChIKey: XCEJNCDEIKFPBT-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 11-N,21-N-bis(9-phenylcarbazol-3-yl)-11-N,21-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine?

The IUPAC name of 11-N,21-N-bis(9-phenylcarbazol-3-yl)-11-N,21-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine (CID 155360847) is 11-N,21-N-bis(9-phenylcarbazol-3-yl)-11-N,21-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine.

What is the SMILES notation for 11-N,21-N-bis(9-phenylcarbazol-3-yl)-11-N,21-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine?

The canonical SMILES for 11-N,21-N-bis(9-phenylcarbazol-3-yl)-11-N,21-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine is CC(C)c1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2cc3oc4cc5oc6cc(N(c7ccc(C(C)C)cc7)c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c7ccccc7c6c5cc4c3c3ccccc23)cc1.

What is the InChIKey of 11-N,21-N-bis(9-phenylcarbazol-3-yl)-11-N,21-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine?

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

What are the key properties of 11-N,21-N-bis(9-phenylcarbazol-3-yl)-11-N,21-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine?

11-N,21-N-bis(9-phenylcarbazol-3-yl)-11-N,21-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-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 11-N,21-N-bis(9-phenylcarbazol-3-yl)-11-N,21-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine is sourced from PubChem (CID 155360847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).