7,18-bis[3,5-di(carbazol-9-yl)phenyl]-11,14,22,26-tetraphenoxy-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone

C108H62N6O8 — CID 132549293

About 7,18-bis[3,5-di(carbazol-9-yl)phenyl]-11,14,22,26-tetraphenoxy-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone

7,18-bis[3,5-di(carbazol-9-yl)phenyl]-11,14,22,26-tetraphenoxy-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone (PubChem CID 132549293) has the molecular formula C108H62N6O8 and a molecular weight of 1571.72 g/mol. Its IUPAC name is 7,18-bis[3,5-di(carbazol-9-yl)phenyl]-11,14,22,26-tetraphenoxy-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone.

Molecular Properties

• Compound Name: 7,18-bis[3,5-di(carbazol-9-yl)phenyl]-11,14,22,26-tetraphenoxy-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone
• PubChem CID: 132549293
• Molecular Formula: C108H62N6O8
• Molecular Weight: 1571.72 g/mol
• Exact Mass: 1570.46
• IUPAC Name: 7,18-bis[3,5-di(carbazol-9-yl)phenyl]-11,14,22,26-tetraphenoxy-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone
• SMILES: O=C1c2cc(Oc3ccccc3)c3c4c(Oc5ccccc5)cc5c6c(cc(Oc7ccccc7)c(c7c(Oc8ccccc8)cc(c2c37)C(=O)N1c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1)c64)C(=O)N(c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1)C5=O
• InChI: InChI=1S/C108H62N6O8/c115-105-81-59-93(119-69-29-5-1-6-30-69)99-100-94(120-70-31-7-2-8-32-70)60-83-98-84(108(118)114(107(83)117)68-57-65(111-89-49-25-17-41-77(89)78-42-18-26-50-90(78)111)54-66(58-68)112-91-51-27-19-43-79(91)80-44-20-28-52-92(80)112)62-96(122-72-35-11-4-12-36-72)102(104(98)100)101-95(121-71-33-9-3-10-34-71)61-82(97(81)103(99)101)106(116)113(105)67-55-63(109-85-45-21-13-37-73(85)74-38-14-22-46-86(74)109)53-64(56-67)110-87-47-23-15-39-75(87)76-40-16-24-48-88(76)110/h1-62H
• InChIKey: OINBIMBJTITXJJ-UHFFFAOYSA-N
• XLogP: 26.90
• TPSA: 131.40 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1571.72
LogP ≤ 5	26.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7,18-bis[3,5-di(carbazol-9-yl)phenyl]-11,14,22,26-tetraphenoxy-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone?

The IUPAC name of 7,18-bis[3,5-di(carbazol-9-yl)phenyl]-11,14,22,26-tetraphenoxy-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone (CID 132549293) is 7,18-bis[3,5-di(carbazol-9-yl)phenyl]-11,14,22,26-tetraphenoxy-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone.

What is the SMILES notation for 7,18-bis[3,5-di(carbazol-9-yl)phenyl]-11,14,22,26-tetraphenoxy-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone?

The canonical SMILES for 7,18-bis[3,5-di(carbazol-9-yl)phenyl]-11,14,22,26-tetraphenoxy-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone is O=C1c2cc(Oc3ccccc3)c3c4c(Oc5ccccc5)cc5c6c(cc(Oc7ccccc7)c(c7c(Oc8ccccc8)cc(c2c37)C(=O)N1c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1)c64)C(=O)N(c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1)C5=O.

What is the InChIKey of 7,18-bis[3,5-di(carbazol-9-yl)phenyl]-11,14,22,26-tetraphenoxy-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone?

The InChIKey is OINBIMBJTITXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C108H62N6O8/c115-105-81-59-93(119-69-29-5-1-6-30-69)99-100-94(120-70-31-7-2-8-32-70)60-83-98-84(108(118)114(107(83)117)68-57-65(111-89-49-25-17-41-77(89)78-42-18-26-50-90(78)111)54-66(58-68)112-91-51-27-19-43-79(91)80-44-20-28-52-92(80)112)62-96(122-72-35-11-4-12-36-72)102(104(98)100)101-95(121-71-33-9-3-10-34-71)61-82(97(81)103(99)101)106(116)113(105)67-55-63(109-85-45-21-13-37-73(85)74-38-14-22-46-86(74)109)53-64(56-67)110-87-47-23-15-39-75(87)76-40-16-24-48-88(76)110/h1-62H.

What are the key properties of 7,18-bis[3,5-di(carbazol-9-yl)phenyl]-11,14,22,26-tetraphenoxy-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone?

7,18-bis[3,5-di(carbazol-9-yl)phenyl]-11,14,22,26-tetraphenoxy-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone has a molecular weight of 1571.72 g/mol, XLogP of 26.90, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 7,18-bis[3,5-di(carbazol-9-yl)phenyl]-11,14,22,26-tetraphenoxy-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone is sourced from PubChem (CID 132549293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).