bis(10-(9,9-diphenylfluoren-2-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene);bis(10-(7'-isocyano-9,9'-spirobi[fluorene]-2'-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene);9-[4-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]carbazole

C220H129N3O5 — CID 160783187

About bis(10-(9,9-diphenylfluoren-2-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene);bis(10-(7'-isocyano-9,9'-spirobi[fluorene]-2'-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene);9-[4-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]carbazole

bis(10-(9,9-diphenylfluoren-2-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene);bis(10-(7'-isocyano-9,9'-spirobi[fluorene]-2'-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene);9-[4-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]carbazole (PubChem CID 160783187) has the molecular formula C220H129N3O5 and a molecular weight of 2894.47 g/mol. Its IUPAC name is bis(10-(9,9-diphenylfluoren-2-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene);bis(10-(7'-isocyano-9,9'-spirobi[fluorene]-2'-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene);9-[4-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]carbazole.

Molecular Properties

• Compound Name: bis(10-(9,9-diphenylfluoren-2-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene);bis(10-(7'-isocyano-9,9'-spirobi[fluorene]-2'-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene);9-[4-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]carbazole
• PubChem CID: 160783187
• Molecular Formula: C220H129N3O5
• Molecular Weight: 2894.47 g/mol
• Exact Mass: 2891.99
• IUPAC Name: bis(10-(9,9-diphenylfluoren-2-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene);bis(10-(7'-isocyano-9,9'-spirobi[fluorene]-2'-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene);9-[4-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]carbazole
• SMILES: [C-]#[N+]c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(-c3cc4ccccc4c4c3oc3ccc5ccccc5c34)ccc1-2.[C-]#[N+]c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(-c3cc4ccccc4c4c3oc3ccc5ccccc5c34)ccc1-2.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4cc5ccccc5c5c4oc4ccc6ccccc6c45)cc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4cc5ccccc5c5c4oc4ccc6ccccc6c45)cc32)cc1.c1ccc2c(c1)ccc1oc3c(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc4ccccc4c3c12
• InChI: InChI=1S/2C46H25NO.2C45H28O.C38H23NO/c2*1-47-30-20-22-36-35-21-18-29(25-40(35)46(41(36)26-30)38-16-8-6-14-33(38)34-15-7-9-17-39(34)46)37-24-28-11-3-5-13-32(28)44-43-31-12-4-2-10-27(31)19-23-42(43)48-45(37)44;2*1-3-15-32(16-4-1)45(33-17-5-2-6-18-33)39-22-12-11-21-36(39)37-25-23-31(28-40(37)45)38-27-30-14-8-10-20-35(30)43-42-34-19-9-7-13-29(34)24-26-41(42)46-44(38)43;1-3-11-28-24(9-1)19-22-35-36(28)37-29-12-4-2-10-26(29)23-32(38(37)40-35)25-17-20-27(21-18-25)39-33-15-7-5-13-30(33)31-14-6-8-16-34(31)39/h2*2-26H;2*1-28H;1-23H
• InChIKey: SAVUDDXHAUWEMD-UHFFFAOYSA-N
• XLogP: 59.41
• TPSA: 79.35 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 228
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2894.47
LogP ≤ 5	59.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(10-(9,9-diphenylfluoren-2-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene);bis(10-(7'-isocyano-9,9'-spirobi[fluorene]-2'-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene);9-[4-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]carbazole?

The IUPAC name of bis(10-(9,9-diphenylfluoren-2-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene);bis(10-(7'-isocyano-9,9'-spirobi[fluorene]-2'-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene);9-[4-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]carbazole (CID 160783187) is bis(10-(9,9-diphenylfluoren-2-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene);bis(10-(7'-isocyano-9,9'-spirobi[fluorene]-2'-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene);9-[4-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]carbazole.

What is the SMILES notation for bis(10-(9,9-diphenylfluoren-2-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene);bis(10-(7'-isocyano-9,9'-spirobi[fluorene]-2'-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene);9-[4-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]carbazole?

The canonical SMILES for bis(10-(9,9-diphenylfluoren-2-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene);bis(10-(7'-isocyano-9,9'-spirobi[fluorene]-2'-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene);9-[4-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]carbazole is [C-]#[N+]c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(-c3cc4ccccc4c4c3oc3ccc5ccccc5c34)ccc1-2.[C-]#[N+]c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(-c3cc4ccccc4c4c3oc3ccc5ccccc5c34)ccc1-2.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4cc5ccccc5c5c4oc4ccc6ccccc6c45)cc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4cc5ccccc5c5c4oc4ccc6ccccc6c45)cc32)cc1.c1ccc2c(c1)ccc1oc3c(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc4ccccc4c3c12.

What is the InChIKey of bis(10-(9,9-diphenylfluoren-2-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene);bis(10-(7'-isocyano-9,9'-spirobi[fluorene]-2'-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene);9-[4-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]carbazole?

The InChIKey is SAVUDDXHAUWEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C46H25NO.2C45H28O.C38H23NO/c2*1-47-30-20-22-36-35-21-18-29(25-40(35)46(41(36)26-30)38-16-8-6-14-33(38)34-15-7-9-17-39(34)46)37-24-28-11-3-5-13-32(28)44-43-31-12-4-2-10-27(31)19-23-42(43)48-45(37)44;2*1-3-15-32(16-4-1)45(33-17-5-2-6-18-33)39-22-12-11-21-36(39)37-25-23-31(28-40(37)45)38-27-30-14-8-10-20-35(30)43-42-34-19-9-7-13-29(34)24-26-41(42)46-44(38)43;1-3-11-28-24(9-1)19-22-35-36(28)37-29-12-4-2-10-26(29)23-32(38(37)40-35)25-17-20-27(21-18-25)39-33-15-7-5-13-30(33)31-14-6-8-16-34(31)39/h2*2-26H;2*1-28H;1-23H.

What are the key properties of bis(10-(9,9-diphenylfluoren-2-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene);bis(10-(7'-isocyano-9,9'-spirobi[fluorene]-2'-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene);9-[4-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]carbazole?

bis(10-(9,9-diphenylfluoren-2-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene);bis(10-(7'-isocyano-9,9'-spirobi[fluorene]-2'-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene);9-[4-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]carbazole has a molecular weight of 2894.47 g/mol, XLogP of 59.41, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for bis(10-(9,9-diphenylfluoren-2-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene);bis(10-(7'-isocyano-9,9'-spirobi[fluorene]-2'-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene);9-[4-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]carbazole is sourced from PubChem (CID 160783187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).