7,7-dimethyl-4-(10-phenylanthracen-9-yl)fluoreno[4,3-b][1]benzofuran;12-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;6-[4-(10-phenylanthracen-9-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene

C123H76O5 — CID 167648839

About 7,7-dimethyl-4-(10-phenylanthracen-9-yl)fluoreno[4,3-b][1]benzofuran;12-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;6-[4-(10-phenylanthracen-9-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene

7,7-dimethyl-4-(10-phenylanthracen-9-yl)fluoreno[4,3-b][1]benzofuran;12-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;6-[4-(10-phenylanthracen-9-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene (PubChem CID 167648839) has the molecular formula C123H76O5 and a molecular weight of 1638.99 g/mol. Its IUPAC name is 7,7-dimethyl-4-(10-phenylanthracen-9-yl)fluoreno[4,3-b][1]benzofuran;12-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;6-[4-(10-phenylanthracen-9-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene.

Molecular Properties

• Compound Name: 7,7-dimethyl-4-(10-phenylanthracen-9-yl)fluoreno[4,3-b][1]benzofuran;12-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;6-[4-(10-phenylanthracen-9-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
• PubChem CID: 167648839
• Molecular Formula: C123H76O5
• Molecular Weight: 1638.99 g/mol
• Exact Mass: 1637.60
• IUPAC Name: 7,7-dimethyl-4-(10-phenylanthracen-9-yl)fluoreno[4,3-b][1]benzofuran;12-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;6-[4-(10-phenylanthracen-9-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
• SMILES: CC1(C)c2ccccc2-c2c1ccc1c2oc2cccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)c21.[2H]c1c([2H])c([2H])c(-c2c3ccccc3c(-c3c4oc5ccccc5c4cc4c3oc3ccccc34)c3ccccc23)c([2H])c1[2H].c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5c(c4)oc4c5ccc5c6ccccc6oc54)cc3)c3ccccc23)cc1
• InChI: InChI=1S/C44H26O2.C41H28O.C38H22O2/c1-2-10-28(11-3-1)41-33-13-4-6-15-35(33)42(36-16-7-5-14-34(36)41)29-20-18-27(19-21-29)30-22-23-32-38-25-24-37-31-12-8-9-17-39(31)45-43(37)44(38)46-40(32)26-30;1-41(2)33-21-11-10-19-30(33)39-34(41)24-23-32-38-31(20-12-22-35(38)42-40(32)39)37-28-17-8-6-15-26(28)36(25-13-4-3-5-14-25)27-16-7-9-18-29(27)37;1-2-12-23(13-3-1)34-26-16-4-6-18-28(26)35(29-19-7-5-17-27(29)34)36-37-30(24-14-8-10-20-32(24)39-37)22-31-25-15-9-11-21-33(25)40-38(31)36/h1-26H;3-24H,1-2H3;1-22H/i;;1D,2D,3D,12D,13D
• InChIKey: QGVDEMDZDSWZRW-TZKJCLTKSA-N
• XLogP: 35.45
• TPSA: 65.70 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1638.99
LogP ≤ 5	35.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-4-(10-phenylanthracen-9-yl)fluoreno[4,3-b][1]benzofuran;12-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;6-[4-(10-phenylanthracen-9-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene?

The IUPAC name of 7,7-dimethyl-4-(10-phenylanthracen-9-yl)fluoreno[4,3-b][1]benzofuran;12-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;6-[4-(10-phenylanthracen-9-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene (CID 167648839) is 7,7-dimethyl-4-(10-phenylanthracen-9-yl)fluoreno[4,3-b][1]benzofuran;12-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;6-[4-(10-phenylanthracen-9-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene.

What is the SMILES notation for 7,7-dimethyl-4-(10-phenylanthracen-9-yl)fluoreno[4,3-b][1]benzofuran;12-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;6-[4-(10-phenylanthracen-9-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene?

The canonical SMILES for 7,7-dimethyl-4-(10-phenylanthracen-9-yl)fluoreno[4,3-b][1]benzofuran;12-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;6-[4-(10-phenylanthracen-9-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene is CC1(C)c2ccccc2-c2c1ccc1c2oc2cccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)c21.[2H]c1c([2H])c([2H])c(-c2c3ccccc3c(-c3c4oc5ccccc5c4cc4c3oc3ccccc34)c3ccccc23)c([2H])c1[2H].c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5c(c4)oc4c5ccc5c6ccccc6oc54)cc3)c3ccccc23)cc1.

What is the InChIKey of 7,7-dimethyl-4-(10-phenylanthracen-9-yl)fluoreno[4,3-b][1]benzofuran;12-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;6-[4-(10-phenylanthracen-9-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene?

The InChIKey is QGVDEMDZDSWZRW-TZKJCLTKSA-N. The full InChI is InChI=1S/C44H26O2.C41H28O.C38H22O2/c1-2-10-28(11-3-1)41-33-13-4-6-15-35(33)42(36-16-7-5-14-34(36)41)29-20-18-27(19-21-29)30-22-23-32-38-25-24-37-31-12-8-9-17-39(31)45-43(37)44(38)46-40(32)26-30;1-41(2)33-21-11-10-19-30(33)39-34(41)24-23-32-38-31(20-12-22-35(38)42-40(32)39)37-28-17-8-6-15-26(28)36(25-13-4-3-5-14-25)27-16-7-9-18-29(27)37;1-2-12-23(13-3-1)34-26-16-4-6-18-28(26)35(29-19-7-5-17-27(29)34)36-37-30(24-14-8-10-20-32(24)39-37)22-31-25-15-9-11-21-33(25)40-38(31)36/h1-26H;3-24H,1-2H3;1-22H/i;;1D,2D,3D,12D,13D.

What are the key properties of 7,7-dimethyl-4-(10-phenylanthracen-9-yl)fluoreno[4,3-b][1]benzofuran;12-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;6-[4-(10-phenylanthracen-9-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene?

7,7-dimethyl-4-(10-phenylanthracen-9-yl)fluoreno[4,3-b][1]benzofuran;12-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;6-[4-(10-phenylanthracen-9-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene has a molecular weight of 1638.99 g/mol, XLogP of 35.45, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7,7-dimethyl-4-(10-phenylanthracen-9-yl)fluoreno[4,3-b][1]benzofuran;12-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;6-[4-(10-phenylanthracen-9-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene is sourced from PubChem (CID 167648839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).