4-[3-[3-(2-bromophenyl)phenyl]-9H-fluoren-9-yl]dibenzofuran

C37H23BrO — CID 90215135

IUPAC4-[3-[3-(2-bromophenyl)phenyl]-9H-fluoren-9-yl]dibenzofuran
SMILESBrc1ccccc1-c1cccc(-c2ccc3c(c2)-c2ccccc2C3c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C37H23BrO/c38-34-17-5-3-11-26(34)25-10-7-9-23(21-25)24-19-20-30-33(22-24)27-12-1-2-14-29(27)36(30)32-16-8-15-31-28-13-4-6-18-35(28)39-37(31)32/h1-22,36H
InChIKeyXHJSOWYSKFKMQV-UHFFFAOYSA-N
MW563.49 g/mol
LogP10.84
Rot. Bonds3

About 4-[3-[3-(2-bromophenyl)phenyl]-9H-fluoren-9-yl]dibenzofuran

4-[3-[3-(2-bromophenyl)phenyl]-9H-fluoren-9-yl]dibenzofuran (PubChem CID 90215135) has the molecular formula C37H23BrO and a molecular weight of 563.49 g/mol. Its IUPAC name is 4-[3-[3-(2-bromophenyl)phenyl]-9H-fluoren-9-yl]dibenzofuran.

Molecular Properties

Compound Name4-[3-[3-(2-bromophenyl)phenyl]-9H-fluoren-9-yl]dibenzofuran
PubChem CID90215135
Molecular FormulaC37H23BrO
Molecular Weight563.49 g/mol
Exact Mass562.09
IUPAC Name4-[3-[3-(2-bromophenyl)phenyl]-9H-fluoren-9-yl]dibenzofuran
SMILESBrc1ccccc1-c1cccc(-c2ccc3c(c2)-c2ccccc2C3c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C37H23BrO/c38-34-17-5-3-11-26(34)25-10-7-9-23(21-25)24-19-20-30-33(22-24)27-12-1-2-14-29(27)36(30)32-16-8-15-31-28-13-4-6-18-35(28)39-37(31)32/h1-22,36H
InChIKeyXHJSOWYSKFKMQV-UHFFFAOYSA-N
XLogP10.84
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.49
LogP ≤ 510.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-phenyl-9-[6-[(9S)-3-phenyl-9H-fluoren-9-yl]dibenzofuran-3-yl]-1,10-phenanthroline
CID 146335944
4-[3-[3-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964725
4-[3-[4-[bis(4-phenylphenyl)methyl]phenyl]phenyl]dibenzofuran
CID 168845323
2,4-di(dibenzofuran-4-yl)-6-[4-phenyl-2-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 167348928
4-[[3-[9-[(4-phenylphenyl)methyl]-9H-fluoren-3-yl]-9H-fluoren-9-yl]methyl]dibenzofuran
CID 142356030
2-[6-(2-phenyl-9H-fluoren-9-yl)dibenzofuran-3-yl]-4-(4-phenylphenyl)quinazoline
CID 146335613
3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline;N-[4-(9-dibenzothiophen-4-yl-9H-fluoren-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 158296108
4-bromo-6-phenyldibenzofuran;4-phenyldibenzofuran
CID 158212345
1-[2-[2-(9-phenyl-9H-fluoren-3-yl)-9H-fluoren-9-yl]phenyl]dibenzofuran
CID 126753743
8-[3-[3-(3-phenylphenyl)phenyl]phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene
CID 162495161
4-bromodibenzofuran;4-phenylaniline
CID 122673561
4-(4-bromophenyl)dibenzofuran
CID 59022098

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(2-bromophenyl)phenyl]-9H-fluoren-9-yl]dibenzofuran?
The IUPAC name of 4-[3-[3-(2-bromophenyl)phenyl]-9H-fluoren-9-yl]dibenzofuran (CID 90215135) is 4-[3-[3-(2-bromophenyl)phenyl]-9H-fluoren-9-yl]dibenzofuran.
What is the SMILES notation for 4-[3-[3-(2-bromophenyl)phenyl]-9H-fluoren-9-yl]dibenzofuran?
The canonical SMILES for 4-[3-[3-(2-bromophenyl)phenyl]-9H-fluoren-9-yl]dibenzofuran is Brc1ccccc1-c1cccc(-c2ccc3c(c2)-c2ccccc2C3c2cccc3c2oc2ccccc23)c1.
What is the InChIKey of 4-[3-[3-(2-bromophenyl)phenyl]-9H-fluoren-9-yl]dibenzofuran?
The InChIKey is XHJSOWYSKFKMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23BrO/c38-34-17-5-3-11-26(34)25-10-7-9-23(21-25)24-19-20-30-33(22-24)27-12-1-2-14-29(27)36(30)32-16-8-15-31-28-13-4-6-18-35(28)39-37(31)32/h1-22,36H.
What are the key properties of 4-[3-[3-(2-bromophenyl)phenyl]-9H-fluoren-9-yl]dibenzofuran?
4-[3-[3-(2-bromophenyl)phenyl]-9H-fluoren-9-yl]dibenzofuran has a molecular weight of 563.49 g/mol, XLogP of 10.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(2-bromophenyl)phenyl]-9H-fluoren-9-yl]dibenzofuran is sourced from PubChem (CID 90215135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).