(9,9-diphenylfluoren-4-yl)-diphenylborane

C37H27B — CID 123339306

IUPAC(9,9-diphenylfluoren-4-yl)-diphenylborane
SMILESc1ccc(B(c2ccccc2)c2cccc3c2-c2ccccc2C3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C37H27B/c1-5-16-28(17-6-1)37(29-18-7-2-8-19-29)33-25-14-13-24-32(33)36-34(37)26-15-27-35(36)38(30-20-9-3-10-21-30)31-22-11-4-12-23-31/h1-27H
InChIKeyBNUSTMUCSAWALN-UHFFFAOYSA-N
MW482.44 g/mol
LogP6.57
Rot. Bonds5

About (9,9-diphenylfluoren-4-yl)-diphenylborane

(9,9-diphenylfluoren-4-yl)-diphenylborane (PubChem CID 123339306) has the molecular formula C37H27B and a molecular weight of 482.44 g/mol. Its IUPAC name is (9,9-diphenylfluoren-4-yl)-diphenylborane.

Molecular Properties

Compound Name(9,9-diphenylfluoren-4-yl)-diphenylborane
PubChem CID123339306
Molecular FormulaC37H27B
Molecular Weight482.44 g/mol
Exact Mass482.22
IUPAC Name(9,9-diphenylfluoren-4-yl)-diphenylborane
SMILESc1ccc(B(c2ccccc2)c2cccc3c2-c2ccccc2C3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C37H27B/c1-5-16-28(17-6-1)37(29-18-7-2-8-19-29)33-25-14-13-24-32(33)36-34(37)26-15-27-35(36)38(30-20-9-3-10-21-30)31-22-11-4-12-23-31/h1-27H
InChIKeyBNUSTMUCSAWALN-UHFFFAOYSA-N
XLogP6.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.44
LogP ≤ 56.57
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

(9,9-diphenylfluoren-4-yl)boronic acid
CID 119081433
9,9,18,18,27,27-hexakis-phenylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 59217347
4-methyl-9,9-diphenylfluorene
CID 123595050
9,9-diphenylfluorene;methane
CID 145331804
9,9-diphenylfluorene;methane
CID 145140147
9,9'-spirobi[fluorene]-4'-ylboronic acid
CID 71249292
9-(3-chlorophenyl)-4,9-diphenylfluorene
CID 176760005
9-(4-chlorophenyl)-4-naphthalen-2-yl-9-phenylfluorene
CID 176760045
2-(4-chlorophenyl)-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine
CID 167485394
4'-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 177266011
4-methyl-9-(2-methylphenyl)-9-phenylfluorene
CID 145360950
2'-(9,9-diphenylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]
CID 170018800

Frequently Asked Questions

What is the IUPAC name of (9,9-diphenylfluoren-4-yl)-diphenylborane?
The IUPAC name of (9,9-diphenylfluoren-4-yl)-diphenylborane (CID 123339306) is (9,9-diphenylfluoren-4-yl)-diphenylborane.
What is the SMILES notation for (9,9-diphenylfluoren-4-yl)-diphenylborane?
The canonical SMILES for (9,9-diphenylfluoren-4-yl)-diphenylborane is c1ccc(B(c2ccccc2)c2cccc3c2-c2ccccc2C3(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (9,9-diphenylfluoren-4-yl)-diphenylborane?
The InChIKey is BNUSTMUCSAWALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27B/c1-5-16-28(17-6-1)37(29-18-7-2-8-19-29)33-25-14-13-24-32(33)36-34(37)26-15-27-35(36)38(30-20-9-3-10-21-30)31-22-11-4-12-23-31/h1-27H.
What are the key properties of (9,9-diphenylfluoren-4-yl)-diphenylborane?
(9,9-diphenylfluoren-4-yl)-diphenylborane has a molecular weight of 482.44 g/mol, XLogP of 6.57, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (9,9-diphenylfluoren-4-yl)-diphenylborane is sourced from PubChem (CID 123339306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).