11-[4-(8-phenyl-9H-fluoren-1-yl)phenyl]-8,14-dioxa-10-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;11-[4-(8-phenyl-9H-fluoren-1-yl)phenyl]-8,14-dioxa-10,12-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;5-[3-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-8,14,22-trioxa-4-aza-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;5-[3-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-8,14,22-trioxa-4,6-diaza-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

C178H106B4N6O10 — CID 160544335

About 11-[4-(8-phenyl-9H-fluoren-1-yl)phenyl]-8,14-dioxa-10-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;11-[4-(8-phenyl-9H-fluoren-1-yl)phenyl]-8,14-dioxa-10,12-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;5-[3-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-8,14,22-trioxa-4-aza-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;5-[3-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-8,14,22-trioxa-4,6-diaza-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-[4-(8-phenyl-9H-fluoren-1-yl)phenyl]-8,14-dioxa-10-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;11-[4-(8-phenyl-9H-fluoren-1-yl)phenyl]-8,14-dioxa-10,12-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;5-[3-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-8,14,22-trioxa-4-aza-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;5-[3-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-8,14,22-trioxa-4,6-diaza-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 160544335) has the molecular formula C178H106B4N6O10 and a molecular weight of 2532.09 g/mol. Its IUPAC name is 11-[4-(8-phenyl-9H-fluoren-1-yl)phenyl]-8,14-dioxa-10-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;11-[4-(8-phenyl-9H-fluoren-1-yl)phenyl]-8,14-dioxa-10,12-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;5-[3-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-8,14,22-trioxa-4-aza-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;5-[3-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-8,14,22-trioxa-4,6-diaza-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-[4-(8-phenyl-9H-fluoren-1-yl)phenyl]-8,14-dioxa-10-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;11-[4-(8-phenyl-9H-fluoren-1-yl)phenyl]-8,14-dioxa-10,12-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;5-[3-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-8,14,22-trioxa-4-aza-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;5-[3-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-8,14,22-trioxa-4,6-diaza-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: 160544335
• Molecular Formula: C178H106B4N6O10
• Molecular Weight: 2532.09 g/mol
• Exact Mass: 2530.83
• IUPAC Name: 11-[4-(8-phenyl-9H-fluoren-1-yl)phenyl]-8,14-dioxa-10-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;11-[4-(8-phenyl-9H-fluoren-1-yl)phenyl]-8,14-dioxa-10,12-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;5-[3-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-8,14,22-trioxa-4-aza-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;5-[3-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-8,14,22-trioxa-4,6-diaza-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(-c2ccc(-c3cccc4c3Cc3c(-c5cccc(-c6cc7c8c(n6)Oc6cccc9c6B8c6c(cccc6O7)O9)c5)cccc3-4)cc2)cc1.c1ccc(-c2ccc(-c3cccc4c3Cc3c(-c5cccc(-c6nc7c8c(n6)Oc6cccc9c6B8c6c(cccc6O7)O9)c5)cccc3-4)cc2)cc1.c1ccc(-c2cccc3c2Cc2c(-c4ccc(-c5cc6c7c(n5)Oc5ccccc5B7c5ccccc5O6)cc4)cccc2-3)cc1.c1ccc(-c2cccc3c2Cc2c(-c4ccc(-c5nc6c7c(n5)Oc5ccccc5B7c5ccccc5O6)cc4)cccc2-3)cc1
• InChI: InChI=1S/C48H28BNO3.C47H27BN2O3.C42H26BNO2.C41H25BN2O2/c1-2-9-28(10-3-1)29-21-23-30(24-22-29)33-13-5-15-35-36-16-6-14-34(38(36)26-37(33)35)31-11-4-12-32(25-31)39-27-44-47-48(50-39)53-43-20-8-18-41-46(43)49(47)45-40(51-41)17-7-19-42(45)52-44;1-2-9-27(10-3-1)28-21-23-29(24-22-28)32-13-5-15-34-35-16-6-14-33(37(35)26-36(32)34)30-11-4-12-31(25-30)45-49-46-44-47(50-45)53-41-20-8-18-39-43(41)48(44)42-38(51-39)17-7-19-40(42)52-46;1-2-10-26(11-3-1)29-12-8-14-31-32-15-9-13-30(34(32)24-33(29)31)27-20-22-28(23-21-27)37-25-40-41-42(44-37)46-39-19-7-5-17-36(39)43(41)35-16-4-6-18-38(35)45-40;1-2-10-25(11-3-1)28-12-8-14-30-31-15-9-13-29(33(31)24-32(28)30)26-20-22-27(23-21-26)39-43-40-38-41(44-39)46-37-19-7-5-17-35(37)42(38)34-16-4-6-18-36(34)45-40/h1-25,27H,26H2;1-25H,26H2;1-23,25H,24H2;1-23H,24H2
• InChIKey: QXFJKUUBPACSCB-UHFFFAOYSA-N
• XLogP: 35.86
• TPSA: 169.64 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 14
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2532.09
LogP ≤ 5	35.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 11-[4-(8-phenyl-9H-fluoren-1-yl)phenyl]-8,14-dioxa-10-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;11-[4-(8-phenyl-9H-fluoren-1-yl)phenyl]-8,14-dioxa-10,12-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;5-[3-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-8,14,22-trioxa-4-aza-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;5-[3-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-8,14,22-trioxa-4,6-diaza-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-[4-(8-phenyl-9H-fluoren-1-yl)phenyl]-8,14-dioxa-10-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;11-[4-(8-phenyl-9H-fluoren-1-yl)phenyl]-8,14-dioxa-10,12-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;5-[3-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-8,14,22-trioxa-4-aza-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;5-[3-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-8,14,22-trioxa-4,6-diaza-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 160544335) is 11-[4-(8-phenyl-9H-fluoren-1-yl)phenyl]-8,14-dioxa-10-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;11-[4-(8-phenyl-9H-fluoren-1-yl)phenyl]-8,14-dioxa-10,12-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;5-[3-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-8,14,22-trioxa-4-aza-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;5-[3-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-8,14,22-trioxa-4,6-diaza-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-[4-(8-phenyl-9H-fluoren-1-yl)phenyl]-8,14-dioxa-10-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;11-[4-(8-phenyl-9H-fluoren-1-yl)phenyl]-8,14-dioxa-10,12-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;5-[3-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-8,14,22-trioxa-4-aza-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;5-[3-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-8,14,22-trioxa-4,6-diaza-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-[4-(8-phenyl-9H-fluoren-1-yl)phenyl]-8,14-dioxa-10-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;11-[4-(8-phenyl-9H-fluoren-1-yl)phenyl]-8,14-dioxa-10,12-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;5-[3-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-8,14,22-trioxa-4-aza-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;5-[3-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-8,14,22-trioxa-4,6-diaza-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(-c2ccc(-c3cccc4c3Cc3c(-c5cccc(-c6cc7c8c(n6)Oc6cccc9c6B8c6c(cccc6O7)O9)c5)cccc3-4)cc2)cc1.c1ccc(-c2ccc(-c3cccc4c3Cc3c(-c5cccc(-c6nc7c8c(n6)Oc6cccc9c6B8c6c(cccc6O7)O9)c5)cccc3-4)cc2)cc1.c1ccc(-c2cccc3c2Cc2c(-c4ccc(-c5cc6c7c(n5)Oc5ccccc5B7c5ccccc5O6)cc4)cccc2-3)cc1.c1ccc(-c2cccc3c2Cc2c(-c4ccc(-c5nc6c7c(n5)Oc5ccccc5B7c5ccccc5O6)cc4)cccc2-3)cc1.

What is the InChIKey of 11-[4-(8-phenyl-9H-fluoren-1-yl)phenyl]-8,14-dioxa-10-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;11-[4-(8-phenyl-9H-fluoren-1-yl)phenyl]-8,14-dioxa-10,12-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;5-[3-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-8,14,22-trioxa-4-aza-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;5-[3-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-8,14,22-trioxa-4,6-diaza-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 QXFJKUUBPACSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28BNO3.C47H27BN2O3.C42H26BNO2.C41H25BN2O2/c1-2-9-28(10-3-1)29-21-23-30(24-22-29)33-13-5-15-35-36-16-6-14-34(38(36)26-37(33)35)31-11-4-12-32(25-31)39-27-44-47-48(50-39)53-43-20-8-18-41-46(43)49(47)45-40(51-41)17-7-19-42(45)52-44;1-2-9-27(10-3-1)28-21-23-29(24-22-28)32-13-5-15-34-35-16-6-14-33(37(35)26-36(32)34)30-11-4-12-31(25-30)45-49-46-44-47(50-45)53-41-20-8-18-39-43(41)48(44)42-38(51-39)17-7-19-40(42)52-46;1-2-10-26(11-3-1)29-12-8-14-31-32-15-9-13-30(34(32)24-33(29)31)27-20-22-28(23-21-27)37-25-40-41-42(44-37)46-39-19-7-5-17-36(39)43(41)35-16-4-6-18-38(35)45-40;1-2-10-25(11-3-1)28-12-8-14-30-31-15-9-13-29(33(31)24-32(28)30)26-20-22-27(23-21-26)39-43-40-38-41(44-39)46-37-19-7-5-17-35(37)42(38)34-16-4-6-18-36(34)45-40/h1-25,27H,26H2;1-25H,26H2;1-23,25H,24H2;1-23H,24H2.

What are the key properties of 11-[4-(8-phenyl-9H-fluoren-1-yl)phenyl]-8,14-dioxa-10-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;11-[4-(8-phenyl-9H-fluoren-1-yl)phenyl]-8,14-dioxa-10,12-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;5-[3-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-8,14,22-trioxa-4-aza-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;5-[3-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-8,14,22-trioxa-4,6-diaza-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-[4-(8-phenyl-9H-fluoren-1-yl)phenyl]-8,14-dioxa-10-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;11-[4-(8-phenyl-9H-fluoren-1-yl)phenyl]-8,14-dioxa-10,12-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;5-[3-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-8,14,22-trioxa-4-aza-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;5-[3-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-8,14,22-trioxa-4,6-diaza-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 2532.09 g/mol, XLogP of 35.86, 14 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[4-(8-phenyl-9H-fluoren-1-yl)phenyl]-8,14-dioxa-10-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;11-[4-(8-phenyl-9H-fluoren-1-yl)phenyl]-8,14-dioxa-10,12-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;5-[3-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-8,14,22-trioxa-4-aza-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;5-[3-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-8,14,22-trioxa-4,6-diaza-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 160544335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).