21-[3-(4-carbazol-9-ylphenyl)phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];21-(3-dibenzofuran-4-ylphenyl)spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-(3-dibenzothiophen-4-ylphenyl)spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene]

C156H92N4OS — CID 158522955

About 21-[3-(4-carbazol-9-ylphenyl)phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];21-(3-dibenzofuran-4-ylphenyl)spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-(3-dibenzothiophen-4-ylphenyl)spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene]

21-[3-(4-carbazol-9-ylphenyl)phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];21-(3-dibenzofuran-4-ylphenyl)spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-(3-dibenzothiophen-4-ylphenyl)spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene] (PubChem CID 158522955) has the molecular formula C156H92N4OS and a molecular weight of 2070.55 g/mol. Its IUPAC name is 21-[3-(4-carbazol-9-ylphenyl)phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];21-(3-dibenzofuran-4-ylphenyl)spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-(3-dibenzothiophen-4-ylphenyl)spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene].

Molecular Properties

• Compound Name: 21-[3-(4-carbazol-9-ylphenyl)phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];21-(3-dibenzofuran-4-ylphenyl)spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-(3-dibenzothiophen-4-ylphenyl)spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene]
• PubChem CID: 158522955
• Molecular Formula: C156H92N4OS
• Molecular Weight: 2070.55 g/mol
• Exact Mass: 2068.70
• IUPAC Name: 21-[3-(4-carbazol-9-ylphenyl)phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];21-(3-dibenzofuran-4-ylphenyl)spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-(3-dibenzothiophen-4-ylphenyl)spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene]
• SMILES: c1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc(-c2nc3ccccc3c3ccc4c(c23)-c2ccccc2C42c3ccccc3-c3ccccc32)c1.c1cc(-c2nc3ccccc3c3cc4c(cc23)-c2ccccc2C42c3ccccc3-c3ccccc32)cc(-c2cccc3c2oc2ccccc23)c1.c1cc(-c2nc3ccccc3c3cc4c(cc23)-c2ccccc2C42c3ccccc3-c3ccccc32)cc(-c2cccc3c2sc2ccccc23)c1
• InChI: InChI=1S/C56H34N2.C50H29NO.C50H29NS/c1-7-22-46-39(16-1)40-17-2-8-23-47(40)56(46)48-24-9-3-21-45(48)53-49(56)33-32-44-41-18-4-10-25-50(41)57-55(54(44)53)37-15-13-14-36(34-37)35-28-30-38(31-29-35)58-51-26-11-5-19-42(51)43-20-6-12-27-52(43)58;2*1-6-22-42-33(15-1)34-16-2-7-23-43(34)50(42)44-24-8-3-17-35(44)40-28-41-39(29-45(40)50)36-18-4-9-25-46(36)51-48(41)31-14-11-13-30(27-31)32-20-12-21-38-37-19-5-10-26-47(37)52-49(32)38/h1-34H;2*1-29H
• InChIKey: HMLCXZAFBPJCHM-UHFFFAOYSA-N
• XLogP: 40.56
• TPSA: 56.74 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2070.55
LogP ≤ 5	40.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 21-[3-(4-carbazol-9-ylphenyl)phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];21-(3-dibenzofuran-4-ylphenyl)spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-(3-dibenzothiophen-4-ylphenyl)spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene]?

The IUPAC name of 21-[3-(4-carbazol-9-ylphenyl)phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];21-(3-dibenzofuran-4-ylphenyl)spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-(3-dibenzothiophen-4-ylphenyl)spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene] (CID 158522955) is 21-[3-(4-carbazol-9-ylphenyl)phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];21-(3-dibenzofuran-4-ylphenyl)spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-(3-dibenzothiophen-4-ylphenyl)spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene].

What is the SMILES notation for 21-[3-(4-carbazol-9-ylphenyl)phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];21-(3-dibenzofuran-4-ylphenyl)spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-(3-dibenzothiophen-4-ylphenyl)spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene]?

The canonical SMILES for 21-[3-(4-carbazol-9-ylphenyl)phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];21-(3-dibenzofuran-4-ylphenyl)spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-(3-dibenzothiophen-4-ylphenyl)spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene] is c1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc(-c2nc3ccccc3c3ccc4c(c23)-c2ccccc2C42c3ccccc3-c3ccccc32)c1.c1cc(-c2nc3ccccc3c3cc4c(cc23)-c2ccccc2C42c3ccccc3-c3ccccc32)cc(-c2cccc3c2oc2ccccc23)c1.c1cc(-c2nc3ccccc3c3cc4c(cc23)-c2ccccc2C42c3ccccc3-c3ccccc32)cc(-c2cccc3c2sc2ccccc23)c1.

What is the InChIKey of 21-[3-(4-carbazol-9-ylphenyl)phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];21-(3-dibenzofuran-4-ylphenyl)spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-(3-dibenzothiophen-4-ylphenyl)spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene]?

The InChIKey is HMLCXZAFBPJCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N2.C50H29NO.C50H29NS/c1-7-22-46-39(16-1)40-17-2-8-23-47(40)56(46)48-24-9-3-21-45(48)53-49(56)33-32-44-41-18-4-10-25-50(41)57-55(54(44)53)37-15-13-14-36(34-37)35-28-30-38(31-29-35)58-51-26-11-5-19-42(51)43-20-6-12-27-52(43)58;2*1-6-22-42-33(15-1)34-16-2-7-23-43(34)50(42)44-24-8-3-17-35(44)40-28-41-39(29-45(40)50)36-18-4-9-25-46(36)51-48(41)31-14-11-13-30(27-31)32-20-12-21-38-37-19-5-10-26-47(37)52-49(32)38/h1-34H;2*1-29H.

What are the key properties of 21-[3-(4-carbazol-9-ylphenyl)phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];21-(3-dibenzofuran-4-ylphenyl)spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-(3-dibenzothiophen-4-ylphenyl)spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene]?

21-[3-(4-carbazol-9-ylphenyl)phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];21-(3-dibenzofuran-4-ylphenyl)spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-(3-dibenzothiophen-4-ylphenyl)spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene] has a molecular weight of 2070.55 g/mol, XLogP of 40.56, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 21-[3-(4-carbazol-9-ylphenyl)phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];21-(3-dibenzofuran-4-ylphenyl)spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene];21-(3-dibenzothiophen-4-ylphenyl)spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene] is sourced from PubChem (CID 158522955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).