2-bromo-9,9-diphenylfluorene;2-[3-[4-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyridine;2,4-diphenyl-6-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine

C114H86BBrN2O2 — CID 158212737

IUPAC2-bromo-9,9-diphenylfluorene;2-[3-[4-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyridine;2,4-diphenyl-6-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine
SMILESBrc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2.CC1(C)OB(c2ccc(-c3cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)c3)cc2)OC1(C)C.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)cc4)c3)c2)cc1
InChIInChI=1S/C54H37N.C35H32BNO2.C25H17Br/c1-5-16-38(17-6-1)45-36-52(41-18-7-2-8-19-41)55-53(37-45)44-21-15-20-42(34-44)39-28-30-40(31-29-39)43-32-33-49-48-26-13-14-27-50(48)54(51(49)35-43,46-22-9-3-10-23-46)47-24-11-4-12-25-47;1-34(2)35(3,4)39-36(38-34)31-20-18-26(19-21-31)28-16-11-17-29(22-28)33-24-30(25-12-7-5-8-13-25)23-32(37-33)27-14-9-6-10-15-27;26-20-15-16-22-21-13-7-8-14-23(21)25(24(22)17-20,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-37H;5-24H,1-4H3;1-17H
InChIKeyGCGSXDIBNKVRJE-UHFFFAOYSA-N
MW1606.67 g/mol
LogP28.64
Rot. Bonds14

About 2-bromo-9,9-diphenylfluorene;2-[3-[4-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyridine;2,4-diphenyl-6-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine

2-bromo-9,9-diphenylfluorene;2-[3-[4-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyridine;2,4-diphenyl-6-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine (PubChem CID 158212737) has the molecular formula C114H86BBrN2O2 and a molecular weight of 1606.67 g/mol. Its IUPAC name is 2-bromo-9,9-diphenylfluorene;2-[3-[4-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyridine;2,4-diphenyl-6-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine.

Molecular Properties

Compound Name2-bromo-9,9-diphenylfluorene;2-[3-[4-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyridine;2,4-diphenyl-6-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine
PubChem CID158212737
Molecular FormulaC114H86BBrN2O2
Molecular Weight1606.67 g/mol
Exact Mass1604.60
IUPAC Name2-bromo-9,9-diphenylfluorene;2-[3-[4-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyridine;2,4-diphenyl-6-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine
SMILESBrc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2.CC1(C)OB(c2ccc(-c3cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)c3)cc2)OC1(C)C.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)cc4)c3)c2)cc1
InChIInChI=1S/C54H37N.C35H32BNO2.C25H17Br/c1-5-16-38(17-6-1)45-36-52(41-18-7-2-8-19-41)55-53(37-45)44-21-15-20-42(34-44)39-28-30-40(31-29-39)43-32-33-49-48-26-13-14-27-50(48)54(51(49)35-43,46-22-9-3-10-23-46)47-24-11-4-12-25-47;1-34(2)35(3,4)39-36(38-34)31-20-18-26(19-21-31)28-16-11-17-29(22-28)33-24-30(25-12-7-5-8-13-25)23-32(37-33)27-14-9-6-10-15-27;26-20-15-16-22-21-13-7-8-14-23(21)25(24(22)17-20,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-37H;5-24H,1-4H3;1-17H
InChIKeyGCGSXDIBNKVRJE-UHFFFAOYSA-N
XLogP28.64
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms120
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001606.67
LogP ≤ 528.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-bromo-9,9-diphenylfluorene;2-[3-[4-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyridine;2,4-diphenyl-6-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-9,9-diphenylfluorene;2-[3-[4-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyridine;2,4-diphenyl-6-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine?
The IUPAC name of 2-bromo-9,9-diphenylfluorene;2-[3-[4-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyridine;2,4-diphenyl-6-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine (CID 158212737) is 2-bromo-9,9-diphenylfluorene;2-[3-[4-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyridine;2,4-diphenyl-6-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine.
What is the SMILES notation for 2-bromo-9,9-diphenylfluorene;2-[3-[4-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyridine;2,4-diphenyl-6-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine?
The canonical SMILES for 2-bromo-9,9-diphenylfluorene;2-[3-[4-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyridine;2,4-diphenyl-6-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine is Brc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2.CC1(C)OB(c2ccc(-c3cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)c3)cc2)OC1(C)C.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)cc4)c3)c2)cc1.
What is the InChIKey of 2-bromo-9,9-diphenylfluorene;2-[3-[4-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyridine;2,4-diphenyl-6-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine?
The InChIKey is GCGSXDIBNKVRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N.C35H32BNO2.C25H17Br/c1-5-16-38(17-6-1)45-36-52(41-18-7-2-8-19-41)55-53(37-45)44-21-15-20-42(34-44)39-28-30-40(31-29-39)43-32-33-49-48-26-13-14-27-50(48)54(51(49)35-43,46-22-9-3-10-23-46)47-24-11-4-12-25-47;1-34(2)35(3,4)39-36(38-34)31-20-18-26(19-21-31)28-16-11-17-29(22-28)33-24-30(25-12-7-5-8-13-25)23-32(37-33)27-14-9-6-10-15-27;26-20-15-16-22-21-13-7-8-14-23(21)25(24(22)17-20,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-37H;5-24H,1-4H3;1-17H.
What are the key properties of 2-bromo-9,9-diphenylfluorene;2-[3-[4-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyridine;2,4-diphenyl-6-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine?
2-bromo-9,9-diphenylfluorene;2-[3-[4-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyridine;2,4-diphenyl-6-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine has a molecular weight of 1606.67 g/mol, XLogP of 28.64, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-9,9-diphenylfluorene;2-[3-[4-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyridine;2,4-diphenyl-6-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine is sourced from PubChem (CID 158212737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).