4,6-bis[2-(3-bromophenyl)-9H-fluoren-1-yl]dibenzofuran

C50H30Br2O — CID 172853512

IUPAC4,6-bis[2-(3-bromophenyl)-9H-fluoren-1-yl]dibenzofuran
SMILESBrc1cccc(-c2ccc3c(c2-c2cccc4c2oc2c(-c5c(-c6cccc(Br)c6)ccc6c5Cc5ccccc5-6)cccc24)Cc2ccccc2-3)c1
InChIInChI=1S/C50H30Br2O/c51-33-13-5-11-29(25-33)37-21-23-39-35-15-3-1-9-31(35)27-45(39)47(37)43-19-7-17-41-42-18-8-20-44(50(42)53-49(41)43)48-38(30-12-6-14-34(52)26-30)22-24-40-36-16-4-2-10-32(36)28-46(40)48/h1-26H,27-28H2
InChIKeyYJSMSEXYDOFULN-UHFFFAOYSA-N
MW806.60 g/mol
LogP14.92
Rot. Bonds4

About 4,6-bis[2-(3-bromophenyl)-9H-fluoren-1-yl]dibenzofuran

4,6-bis[2-(3-bromophenyl)-9H-fluoren-1-yl]dibenzofuran (PubChem CID 172853512) has the molecular formula C50H30Br2O and a molecular weight of 806.60 g/mol. Its IUPAC name is 4,6-bis[2-(3-bromophenyl)-9H-fluoren-1-yl]dibenzofuran.

Molecular Properties

Compound Name4,6-bis[2-(3-bromophenyl)-9H-fluoren-1-yl]dibenzofuran
PubChem CID172853512
Molecular FormulaC50H30Br2O
Molecular Weight806.60 g/mol
Exact Mass804.07
IUPAC Name4,6-bis[2-(3-bromophenyl)-9H-fluoren-1-yl]dibenzofuran
SMILESBrc1cccc(-c2ccc3c(c2-c2cccc4c2oc2c(-c5c(-c6cccc(Br)c6)ccc6c5Cc5ccccc5-6)cccc24)Cc2ccccc2-3)c1
InChIInChI=1S/C50H30Br2O/c51-33-13-5-11-29(25-33)37-21-23-39-35-15-3-1-9-31(35)27-45(39)47(37)43-19-7-17-41-42-18-8-20-44(50(42)53-49(41)43)48-38(30-12-6-14-34(52)26-30)22-24-40-36-16-4-2-10-32(36)28-46(40)48/h1-26H,27-28H2
InChIKeyYJSMSEXYDOFULN-UHFFFAOYSA-N
XLogP14.92
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.60
LogP ≤ 514.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,6-bis[2-(4-fluorophenyl)-9H-fluoren-1-yl]dibenzofuran
CID 158623071
10-phenyl-12H-fluoreno[1,2-b][1]benzofuran
CID 164962558
5-(3-bromophenyl)-11H-indeno[1,2-c]isoquinoline
CID 129088173
3-[1-[3-[2-(3-aminophenyl)-9H-fluoren-1-yl]phenyl]-9H-fluoren-2-yl]aniline
CID 150438083
3-[1-(4-aminophenyl)-9H-fluoren-2-yl]aniline
CID 161432491
12-[3-(7H-fluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 163925926
2,11-bis(9H-fluoren-1-yl)triphenylene
CID 59489264
2-fluoro-1-phenyl-9H-fluorene
CID 151671400
4-[3-dibenzofuran-4-yl-5-(9H-fluoren-1-yl)phenyl]-2,6-diphenylpyrimidine
CID 164945010
dibenzofuran;1-phenyl-9H-fluorene
CID 175545610
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
9-(3-bromophenyl)tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaene
CID 145377281

Frequently Asked Questions

What is the IUPAC name of 4,6-bis[2-(3-bromophenyl)-9H-fluoren-1-yl]dibenzofuran?
The IUPAC name of 4,6-bis[2-(3-bromophenyl)-9H-fluoren-1-yl]dibenzofuran (CID 172853512) is 4,6-bis[2-(3-bromophenyl)-9H-fluoren-1-yl]dibenzofuran.
What is the SMILES notation for 4,6-bis[2-(3-bromophenyl)-9H-fluoren-1-yl]dibenzofuran?
The canonical SMILES for 4,6-bis[2-(3-bromophenyl)-9H-fluoren-1-yl]dibenzofuran is Brc1cccc(-c2ccc3c(c2-c2cccc4c2oc2c(-c5c(-c6cccc(Br)c6)ccc6c5Cc5ccccc5-6)cccc24)Cc2ccccc2-3)c1.
What is the InChIKey of 4,6-bis[2-(3-bromophenyl)-9H-fluoren-1-yl]dibenzofuran?
The InChIKey is YJSMSEXYDOFULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30Br2O/c51-33-13-5-11-29(25-33)37-21-23-39-35-15-3-1-9-31(35)27-45(39)47(37)43-19-7-17-41-42-18-8-20-44(50(42)53-49(41)43)48-38(30-12-6-14-34(52)26-30)22-24-40-36-16-4-2-10-32(36)28-46(40)48/h1-26H,27-28H2.
What are the key properties of 4,6-bis[2-(3-bromophenyl)-9H-fluoren-1-yl]dibenzofuran?
4,6-bis[2-(3-bromophenyl)-9H-fluoren-1-yl]dibenzofuran has a molecular weight of 806.60 g/mol, XLogP of 14.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis[2-(3-bromophenyl)-9H-fluoren-1-yl]dibenzofuran is sourced from PubChem (CID 172853512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).