[4-[7-[4-bis(2,4,6-trimethylphenyl)boranylphenyl]-9,9-diphenylfluoren-2-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane

C73H68B2 — CID 102599898

IUPAC[4-[7-[4-bis(2,4,6-trimethylphenyl)boranylphenyl]-9,9-diphenylfluoren-2-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane
SMILESCc1cc(C)c(B(c2ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(-c5ccc(B(c6c(C)cc(C)cc6C)c6c(C)cc(C)cc6C)cc5)ccc3-4)cc2)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C73H68B2/c1-45-35-49(5)69(50(6)36-45)74(70-51(7)37-46(2)38-52(70)8)63-29-23-57(24-30-63)59-27-33-65-66-34-28-60(44-68(66)73(67(65)43-59,61-19-15-13-16-20-61)62-21-17-14-18-22-62)58-25-31-64(32-26-58)75(71-53(9)39-47(3)40-54(71)10)72-55(11)41-48(4)42-56(72)12/h13-44H,1-12H3
InChIKeyJOSYVWIHUUBOIV-UHFFFAOYSA-N
MW966.97 g/mol
LogP14.12
Rot. Bonds10

About [4-[7-[4-bis(2,4,6-trimethylphenyl)boranylphenyl]-9,9-diphenylfluoren-2-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane

[4-[7-[4-bis(2,4,6-trimethylphenyl)boranylphenyl]-9,9-diphenylfluoren-2-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane (PubChem CID 102599898) has the molecular formula C73H68B2 and a molecular weight of 966.97 g/mol. Its IUPAC name is [4-[7-[4-bis(2,4,6-trimethylphenyl)boranylphenyl]-9,9-diphenylfluoren-2-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane.

Molecular Properties

Compound Name[4-[7-[4-bis(2,4,6-trimethylphenyl)boranylphenyl]-9,9-diphenylfluoren-2-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane
PubChem CID102599898
Molecular FormulaC73H68B2
Molecular Weight966.97 g/mol
Exact Mass966.55
IUPAC Name[4-[7-[4-bis(2,4,6-trimethylphenyl)boranylphenyl]-9,9-diphenylfluoren-2-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane
SMILESCc1cc(C)c(B(c2ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(-c5ccc(B(c6c(C)cc(C)cc6C)c6c(C)cc(C)cc6C)cc5)ccc3-4)cc2)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C73H68B2/c1-45-35-49(5)69(50(6)36-45)74(70-51(7)37-46(2)38-52(70)8)63-29-23-57(24-30-63)59-27-33-65-66-34-28-60(44-68(66)73(67(65)43-59,61-19-15-13-16-20-61)62-21-17-14-18-22-62)58-25-31-64(32-26-58)75(71-53(9)39-47(3)40-54(71)10)72-55(11)41-48(4)42-56(72)12/h13-44H,1-12H3
InChIKeyJOSYVWIHUUBOIV-UHFFFAOYSA-N
XLogP14.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500966.97
LogP ≤ 514.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-[4-(4-methylphenyl)phenyl]-9-phenyl-2,7-bis(4-phenylphenyl)fluorene
CID 58894820
2-methyl-9,9-diphenyl-7-(4-phenylphenyl)fluorene
CID 144950232
9-[4-(4-methylphenyl)phenyl]-2,7-dinaphthalen-2-yl-9-phenylfluorene
CID 58894843
[7-diphenylboranyl-9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]-diphenylborane
CID 58795276
4-[2-(4-methylphenyl)-9-phenylfluoren-9-yl]phenol
CID 122651606
[6-bis(2,4,6-trimethylphenyl)boranyl-9,9'-spirobi[fluorene]-3-yl]-bis(2,4,6-trimethylphenyl)borane
CID 123559621
2',7'-bis(4-methylphenyl)-2,7-diphenyl-9,9'-spirobi[fluorene];ethane
CID 91153599
9,9-diphenyl-2-[3-(3-phenylphenyl)phenyl]fluorene
CID 154591168
2-iodo-7,9,9-triphenylfluorene
CID 149383994
2-(9,9-diphenyl-7-triphenylen-2-ylfluoren-2-yl)triphenylene
CID 58795230
2,2',7,7'-tetrakis[4-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]
CID 140756930
[7-(9,9-diphenyl-7-trimethylsilylfluoren-2-yl)-9,9-diphenylfluoren-2-yl]-trimethylsilane
CID 102177279

Frequently Asked Questions

What is the IUPAC name of [4-[7-[4-bis(2,4,6-trimethylphenyl)boranylphenyl]-9,9-diphenylfluoren-2-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane?
The IUPAC name of [4-[7-[4-bis(2,4,6-trimethylphenyl)boranylphenyl]-9,9-diphenylfluoren-2-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane (CID 102599898) is [4-[7-[4-bis(2,4,6-trimethylphenyl)boranylphenyl]-9,9-diphenylfluoren-2-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane.
What is the SMILES notation for [4-[7-[4-bis(2,4,6-trimethylphenyl)boranylphenyl]-9,9-diphenylfluoren-2-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane?
The canonical SMILES for [4-[7-[4-bis(2,4,6-trimethylphenyl)boranylphenyl]-9,9-diphenylfluoren-2-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane is Cc1cc(C)c(B(c2ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(-c5ccc(B(c6c(C)cc(C)cc6C)c6c(C)cc(C)cc6C)cc5)ccc3-4)cc2)c2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of [4-[7-[4-bis(2,4,6-trimethylphenyl)boranylphenyl]-9,9-diphenylfluoren-2-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane?
The InChIKey is JOSYVWIHUUBOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H68B2/c1-45-35-49(5)69(50(6)36-45)74(70-51(7)37-46(2)38-52(70)8)63-29-23-57(24-30-63)59-27-33-65-66-34-28-60(44-68(66)73(67(65)43-59,61-19-15-13-16-20-61)62-21-17-14-18-22-62)58-25-31-64(32-26-58)75(71-53(9)39-47(3)40-54(71)10)72-55(11)41-48(4)42-56(72)12/h13-44H,1-12H3.
What are the key properties of [4-[7-[4-bis(2,4,6-trimethylphenyl)boranylphenyl]-9,9-diphenylfluoren-2-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane?
[4-[7-[4-bis(2,4,6-trimethylphenyl)boranylphenyl]-9,9-diphenylfluoren-2-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane has a molecular weight of 966.97 g/mol, XLogP of 14.12, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[7-[4-bis(2,4,6-trimethylphenyl)boranylphenyl]-9,9-diphenylfluoren-2-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane is sourced from PubChem (CID 102599898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).