9-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-3,6-diphenylcarbazole;9-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)-3,6-diphenylcarbazole;9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-3,6-diphenylcarbazole;9-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-3,6-diphenylcarbazole

C180H124N4O4 — CID 160839685

About 9-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-3,6-diphenylcarbazole;9-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)-3,6-diphenylcarbazole;9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-3,6-diphenylcarbazole;9-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-3,6-diphenylcarbazole

9-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-3,6-diphenylcarbazole;9-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)-3,6-diphenylcarbazole;9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-3,6-diphenylcarbazole;9-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-3,6-diphenylcarbazole (PubChem CID 160839685) has the molecular formula C180H124N4O4 and a molecular weight of 2407.00 g/mol. Its IUPAC name is 9-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-3,6-diphenylcarbazole;9-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)-3,6-diphenylcarbazole;9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-3,6-diphenylcarbazole;9-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-3,6-diphenylcarbazole.

Molecular Properties

• Compound Name: 9-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-3,6-diphenylcarbazole;9-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)-3,6-diphenylcarbazole;9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-3,6-diphenylcarbazole;9-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-3,6-diphenylcarbazole
• PubChem CID: 160839685
• Molecular Formula: C180H124N4O4
• Molecular Weight: 2407.00 g/mol
• Exact Mass: 2404.96
• IUPAC Name: 9-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-3,6-diphenylcarbazole;9-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)-3,6-diphenylcarbazole;9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-3,6-diphenylcarbazole;9-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-3,6-diphenylcarbazole
• SMILES: CC1(C)c2cc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)ccc2-c2c1ccc1c2oc2ccccc21.CC1(C)c2cc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)ccc2-c2c1ccc1oc3ccccc3c21.CC1(C)c2cc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)ccc2-c2cc3oc4ccccc4c3cc21.CC1(C)c2cc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)ccc2-c2ccc3oc4ccccc4c3c21
• InChI: InChI=1S/4C45H31NO/c1-45(2)38-22-21-34-33-15-9-10-16-42(33)47-44(34)43(38)35-20-19-32(27-39(35)45)46-40-23-17-30(28-11-5-3-6-12-28)25-36(40)37-26-31(18-24-41(37)46)29-13-7-4-8-14-29;1-45(2)38-27-32(19-20-33(38)34-21-24-42-43(44(34)45)35-15-9-10-16-41(35)47-42)46-39-22-17-30(28-11-5-3-6-12-28)25-36(39)37-26-31(18-23-40(37)46)29-13-7-4-8-14-29;1-45(2)37-21-24-42-44(34-15-9-10-16-41(34)47-42)43(37)33-20-19-32(27-38(33)45)46-39-22-17-30(28-11-5-3-6-12-28)25-35(39)36-26-31(18-23-40(36)46)29-13-7-4-8-14-29;1-45(2)39-25-32(19-20-33(39)35-27-44-38(26-40(35)45)34-15-9-10-16-43(34)47-44)46-41-21-17-30(28-11-5-3-6-12-28)23-36(41)37-24-31(18-22-42(37)46)29-13-7-4-8-14-29/h4*3-27H,1-2H3
• InChIKey: SHWBJSAGLZBECH-UHFFFAOYSA-N
• XLogP: 49.29
• TPSA: 72.28 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2407.00
LogP ≤ 5	49.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 9-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-3,6-diphenylcarbazole;9-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)-3,6-diphenylcarbazole;9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-3,6-diphenylcarbazole;9-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-3,6-diphenylcarbazole?

The IUPAC name of 9-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-3,6-diphenylcarbazole;9-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)-3,6-diphenylcarbazole;9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-3,6-diphenylcarbazole;9-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-3,6-diphenylcarbazole (CID 160839685) is 9-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-3,6-diphenylcarbazole;9-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)-3,6-diphenylcarbazole;9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-3,6-diphenylcarbazole;9-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-3,6-diphenylcarbazole.

What is the SMILES notation for 9-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-3,6-diphenylcarbazole;9-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)-3,6-diphenylcarbazole;9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-3,6-diphenylcarbazole;9-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-3,6-diphenylcarbazole?

The canonical SMILES for 9-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-3,6-diphenylcarbazole;9-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)-3,6-diphenylcarbazole;9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-3,6-diphenylcarbazole;9-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-3,6-diphenylcarbazole is CC1(C)c2cc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)ccc2-c2c1ccc1c2oc2ccccc21.CC1(C)c2cc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)ccc2-c2c1ccc1oc3ccccc3c21.CC1(C)c2cc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)ccc2-c2cc3oc4ccccc4c3cc21.CC1(C)c2cc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)ccc2-c2ccc3oc4ccccc4c3c21.

What is the InChIKey of 9-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-3,6-diphenylcarbazole;9-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)-3,6-diphenylcarbazole;9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-3,6-diphenylcarbazole;9-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-3,6-diphenylcarbazole?

The InChIKey is SHWBJSAGLZBECH-UHFFFAOYSA-N. The full InChI is InChI=1S/4C45H31NO/c1-45(2)38-22-21-34-33-15-9-10-16-42(33)47-44(34)43(38)35-20-19-32(27-39(35)45)46-40-23-17-30(28-11-5-3-6-12-28)25-36(40)37-26-31(18-24-41(37)46)29-13-7-4-8-14-29;1-45(2)38-27-32(19-20-33(38)34-21-24-42-43(44(34)45)35-15-9-10-16-41(35)47-42)46-39-22-17-30(28-11-5-3-6-12-28)25-36(39)37-26-31(18-23-40(37)46)29-13-7-4-8-14-29;1-45(2)37-21-24-42-44(34-15-9-10-16-41(34)47-42)43(37)33-20-19-32(27-38(33)45)46-39-22-17-30(28-11-5-3-6-12-28)25-35(39)36-26-31(18-23-40(36)46)29-13-7-4-8-14-29;1-45(2)39-25-32(19-20-33(39)35-27-44-38(26-40(35)45)34-15-9-10-16-43(34)47-44)46-41-21-17-30(28-11-5-3-6-12-28)23-36(41)37-24-31(18-22-42(37)46)29-13-7-4-8-14-29/h4*3-27H,1-2H3.

What are the key properties of 9-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-3,6-diphenylcarbazole;9-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)-3,6-diphenylcarbazole;9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-3,6-diphenylcarbazole;9-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-3,6-diphenylcarbazole?

9-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-3,6-diphenylcarbazole;9-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)-3,6-diphenylcarbazole;9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-3,6-diphenylcarbazole;9-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-3,6-diphenylcarbazole has a molecular weight of 2407.00 g/mol, XLogP of 49.29, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-3,6-diphenylcarbazole;9-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)-3,6-diphenylcarbazole;9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-3,6-diphenylcarbazole;9-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-3,6-diphenylcarbazole is sourced from PubChem (CID 160839685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).