11-[3-(3,6-diphenyl-9H-fluoren-1-yl)phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-[4-(6,8-diphenyl-9H-fluoren-1-yl)phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[3-(6,8-diphenyl-9H-fluoren-1-yl)phenyl]-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene

C147H91B3O7 — CID 162130009

About 11-[3-(3,6-diphenyl-9H-fluoren-1-yl)phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-[4-(6,8-diphenyl-9H-fluoren-1-yl)phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[3-(6,8-diphenyl-9H-fluoren-1-yl)phenyl]-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene

11-[3-(3,6-diphenyl-9H-fluoren-1-yl)phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-[4-(6,8-diphenyl-9H-fluoren-1-yl)phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[3-(6,8-diphenyl-9H-fluoren-1-yl)phenyl]-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene (PubChem CID 162130009) has the molecular formula C147H91B3O7 and a molecular weight of 2001.77 g/mol. Its IUPAC name is 11-[3-(3,6-diphenyl-9H-fluoren-1-yl)phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-[4-(6,8-diphenyl-9H-fluoren-1-yl)phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[3-(6,8-diphenyl-9H-fluoren-1-yl)phenyl]-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene.

Molecular Properties

• Compound Name: 11-[3-(3,6-diphenyl-9H-fluoren-1-yl)phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-[4-(6,8-diphenyl-9H-fluoren-1-yl)phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[3-(6,8-diphenyl-9H-fluoren-1-yl)phenyl]-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
• PubChem CID: 162130009
• Molecular Formula: C147H91B3O7
• Molecular Weight: 2001.77 g/mol
• Exact Mass: 2000.70
• IUPAC Name: 11-[3-(3,6-diphenyl-9H-fluoren-1-yl)phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-[4-(6,8-diphenyl-9H-fluoren-1-yl)phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[3-(6,8-diphenyl-9H-fluoren-1-yl)phenyl]-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
• SMILES: c1ccc(-c2cc(-c3ccccc3)c3c(c2)-c2cccc(-c4ccc(-c5cc6c7c(c5)Oc5ccccc5B7c5ccccc5O6)cc4)c2C3)cc1.c1ccc(-c2cc(-c3ccccc3)c3c(c2)-c2cccc(-c4cccc(-c5cc6c7c(c5)Oc5cccc8c5B7c5c(cccc5O6)O8)c4)c2C3)cc1.c1ccc(-c2ccc3c(c2)-c2cc(-c4ccccc4)cc(-c4cccc(-c5cc6c7c(c5)Oc5ccccc5B7c5ccccc5O6)c4)c2C3)cc1
• InChI: InChI=1S/C49H29BO3.2C49H31BO2/c1-3-11-29(12-4-1)33-24-37(30-13-5-2-6-14-30)40-28-39-35(17-8-18-36(39)38(40)25-33)32-16-7-15-31(23-32)34-26-45-49-46(27-34)53-44-22-10-20-42-48(44)50(49)47-41(51-42)19-9-21-43(47)52-45;1-3-12-31(13-4-1)35-26-39(33-14-5-2-6-15-33)42-30-41-37(16-11-17-38(41)40(42)27-35)34-24-22-32(23-25-34)36-28-47-49-48(29-36)52-46-21-10-8-19-44(46)50(49)43-18-7-9-20-45(43)51-47;1-3-12-31(13-4-1)34-22-23-36-26-41-40(27-37(28-42(41)39(36)25-34)32-14-5-2-6-15-32)35-17-11-16-33(24-35)38-29-47-49-48(30-38)52-46-21-10-8-19-44(46)50(49)43-18-7-9-20-45(43)51-47/h1-27H,28H2;1-29H,30H2;1-25,27-30H,26H2
• InChIKey: ZINPWLBFXNVXGH-UHFFFAOYSA-N
• XLogP: 32.07
• TPSA: 64.61 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2001.77
LogP ≤ 5	32.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 11-[3-(3,6-diphenyl-9H-fluoren-1-yl)phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-[4-(6,8-diphenyl-9H-fluoren-1-yl)phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[3-(6,8-diphenyl-9H-fluoren-1-yl)phenyl]-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene?

The IUPAC name of 11-[3-(3,6-diphenyl-9H-fluoren-1-yl)phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-[4-(6,8-diphenyl-9H-fluoren-1-yl)phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[3-(6,8-diphenyl-9H-fluoren-1-yl)phenyl]-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene (CID 162130009) is 11-[3-(3,6-diphenyl-9H-fluoren-1-yl)phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-[4-(6,8-diphenyl-9H-fluoren-1-yl)phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[3-(6,8-diphenyl-9H-fluoren-1-yl)phenyl]-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene.

What is the SMILES notation for 11-[3-(3,6-diphenyl-9H-fluoren-1-yl)phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-[4-(6,8-diphenyl-9H-fluoren-1-yl)phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[3-(6,8-diphenyl-9H-fluoren-1-yl)phenyl]-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene?

The canonical SMILES for 11-[3-(3,6-diphenyl-9H-fluoren-1-yl)phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-[4-(6,8-diphenyl-9H-fluoren-1-yl)phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[3-(6,8-diphenyl-9H-fluoren-1-yl)phenyl]-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene is c1ccc(-c2cc(-c3ccccc3)c3c(c2)-c2cccc(-c4ccc(-c5cc6c7c(c5)Oc5ccccc5B7c5ccccc5O6)cc4)c2C3)cc1.c1ccc(-c2cc(-c3ccccc3)c3c(c2)-c2cccc(-c4cccc(-c5cc6c7c(c5)Oc5cccc8c5B7c5c(cccc5O6)O8)c4)c2C3)cc1.c1ccc(-c2ccc3c(c2)-c2cc(-c4ccccc4)cc(-c4cccc(-c5cc6c7c(c5)Oc5ccccc5B7c5ccccc5O6)c4)c2C3)cc1.

What is the InChIKey of 11-[3-(3,6-diphenyl-9H-fluoren-1-yl)phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-[4-(6,8-diphenyl-9H-fluoren-1-yl)phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[3-(6,8-diphenyl-9H-fluoren-1-yl)phenyl]-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene?

The InChIKey is ZINPWLBFXNVXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29BO3.2C49H31BO2/c1-3-11-29(12-4-1)33-24-37(30-13-5-2-6-14-30)40-28-39-35(17-8-18-36(39)38(40)25-33)32-16-7-15-31(23-32)34-26-45-49-46(27-34)53-44-22-10-20-42-48(44)50(49)47-41(51-42)19-9-21-43(47)52-45;1-3-12-31(13-4-1)35-26-39(33-14-5-2-6-15-33)42-30-41-37(16-11-17-38(41)40(42)27-35)34-24-22-32(23-25-34)36-28-47-49-48(29-36)52-46-21-10-8-19-44(46)50(49)43-18-7-9-20-45(43)51-47;1-3-12-31(13-4-1)34-22-23-36-26-41-40(27-37(28-42(41)39(36)25-34)32-14-5-2-6-15-32)35-17-11-16-33(24-35)38-29-47-49-48(30-38)52-46-21-10-8-19-44(46)50(49)43-18-7-9-20-45(43)51-47/h1-27H,28H2;1-29H,30H2;1-25,27-30H,26H2.

What are the key properties of 11-[3-(3,6-diphenyl-9H-fluoren-1-yl)phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-[4-(6,8-diphenyl-9H-fluoren-1-yl)phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[3-(6,8-diphenyl-9H-fluoren-1-yl)phenyl]-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene?

11-[3-(3,6-diphenyl-9H-fluoren-1-yl)phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-[4-(6,8-diphenyl-9H-fluoren-1-yl)phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[3-(6,8-diphenyl-9H-fluoren-1-yl)phenyl]-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene has a molecular weight of 2001.77 g/mol, XLogP of 32.07, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[3-(3,6-diphenyl-9H-fluoren-1-yl)phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-[4-(6,8-diphenyl-9H-fluoren-1-yl)phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[3-(6,8-diphenyl-9H-fluoren-1-yl)phenyl]-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene is sourced from PubChem (CID 162130009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).