2-bromodibenzofuran;2-(7-bromo-9,9-dimethylfluoren-2-yl)dibenzofuran;2-(3-bromophenyl)dibenzofuran;2-(4-bromophenyl)dibenzofuran;5-(4-bromophenyl)naphtho[2,1-b][1]benzothiole;2-[3-(4-bromophenyl)phenyl]dibenzofuran

C121H76Br6O5S — CID 161215238

IUPAC2-bromodibenzofuran;2-(7-bromo-9,9-dimethylfluoren-2-yl)dibenzofuran;2-(3-bromophenyl)dibenzofuran;2-(4-bromophenyl)dibenzofuran;5-(4-bromophenyl)naphtho[2,1-b][1]benzothiole;2-[3-(4-bromophenyl)phenyl]dibenzofuran
SMILESBrc1ccc(-c2cc3sc4ccccc4c3c3ccccc23)cc1.Brc1ccc(-c2ccc3oc4ccccc4c3c2)cc1.Brc1ccc(-c2cccc(-c3ccc4oc5ccccc5c4c3)c2)cc1.Brc1ccc2oc3ccccc3c2c1.Brc1cccc(-c2ccc3oc4ccccc4c3c2)c1.CC1(C)c2cc(Br)ccc2-c2ccc(-c3ccc4oc5ccccc5c4c3)cc21
InChIInChI=1S/C27H19BrO.C24H15BrO.C22H13BrS.2C18H11BrO.C12H7BrO/c1-27(2)23-14-17(7-10-19(23)20-11-9-18(28)15-24(20)27)16-8-12-26-22(13-16)21-5-3-4-6-25(21)29-26;25-20-11-8-16(9-12-20)17-4-3-5-18(14-17)19-10-13-24-22(15-19)21-6-1-2-7-23(21)26-24;23-15-11-9-14(10-12-15)19-13-21-22(17-6-2-1-5-16(17)19)18-7-3-4-8-20(18)24-21;19-14-5-3-4-12(10-14)13-8-9-18-16(11-13)15-6-1-2-7-17(15)20-18;19-14-8-5-12(6-9-14)13-7-10-18-16(11-13)15-3-1-2-4-17(15)20-18;13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h3-15H,1-2H3;1-15H;1-13H;2*1-11H;1-7H
InChIKeyUWTRWUGBTJOPTE-UHFFFAOYSA-N
MW2121.42 g/mol
LogP40.02
Rot. Bonds6

About 2-bromodibenzofuran;2-(7-bromo-9,9-dimethylfluoren-2-yl)dibenzofuran;2-(3-bromophenyl)dibenzofuran;2-(4-bromophenyl)dibenzofuran;5-(4-bromophenyl)naphtho[2,1-b][1]benzothiole;2-[3-(4-bromophenyl)phenyl]dibenzofuran

2-bromodibenzofuran;2-(7-bromo-9,9-dimethylfluoren-2-yl)dibenzofuran;2-(3-bromophenyl)dibenzofuran;2-(4-bromophenyl)dibenzofuran;5-(4-bromophenyl)naphtho[2,1-b][1]benzothiole;2-[3-(4-bromophenyl)phenyl]dibenzofuran (PubChem CID 161215238) has the molecular formula C121H76Br6O5S and a molecular weight of 2121.42 g/mol. Its IUPAC name is 2-bromodibenzofuran;2-(7-bromo-9,9-dimethylfluoren-2-yl)dibenzofuran;2-(3-bromophenyl)dibenzofuran;2-(4-bromophenyl)dibenzofuran;5-(4-bromophenyl)naphtho[2,1-b][1]benzothiole;2-[3-(4-bromophenyl)phenyl]dibenzofuran.

Molecular Properties

Compound Name2-bromodibenzofuran;2-(7-bromo-9,9-dimethylfluoren-2-yl)dibenzofuran;2-(3-bromophenyl)dibenzofuran;2-(4-bromophenyl)dibenzofuran;5-(4-bromophenyl)naphtho[2,1-b][1]benzothiole;2-[3-(4-bromophenyl)phenyl]dibenzofuran
PubChem CID161215238
Molecular FormulaC121H76Br6O5S
Molecular Weight2121.42 g/mol
Exact Mass2114.05
IUPAC Name2-bromodibenzofuran;2-(7-bromo-9,9-dimethylfluoren-2-yl)dibenzofuran;2-(3-bromophenyl)dibenzofuran;2-(4-bromophenyl)dibenzofuran;5-(4-bromophenyl)naphtho[2,1-b][1]benzothiole;2-[3-(4-bromophenyl)phenyl]dibenzofuran
SMILESBrc1ccc(-c2cc3sc4ccccc4c3c3ccccc23)cc1.Brc1ccc(-c2ccc3oc4ccccc4c3c2)cc1.Brc1ccc(-c2cccc(-c3ccc4oc5ccccc5c4c3)c2)cc1.Brc1ccc2oc3ccccc3c2c1.Brc1cccc(-c2ccc3oc4ccccc4c3c2)c1.CC1(C)c2cc(Br)ccc2-c2ccc(-c3ccc4oc5ccccc5c4c3)cc21
InChIInChI=1S/C27H19BrO.C24H15BrO.C22H13BrS.2C18H11BrO.C12H7BrO/c1-27(2)23-14-17(7-10-19(23)20-11-9-18(28)15-24(20)27)16-8-12-26-22(13-16)21-5-3-4-6-25(21)29-26;25-20-11-8-16(9-12-20)17-4-3-5-18(14-17)19-10-13-24-22(15-19)21-6-1-2-7-23(21)26-24;23-15-11-9-14(10-12-15)19-13-21-22(17-6-2-1-5-16(17)19)18-7-3-4-8-20(18)24-21;19-14-5-3-4-12(10-14)13-8-9-18-16(11-13)15-6-1-2-7-17(15)20-18;19-14-8-5-12(6-9-14)13-7-10-18-16(11-13)15-3-1-2-4-17(15)20-18;13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h3-15H,1-2H3;1-15H;1-13H;2*1-11H;1-7H
InChIKeyUWTRWUGBTJOPTE-UHFFFAOYSA-N
XLogP40.02
TPSA65.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms133
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002121.42
LogP ≤ 540.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-bromodibenzofuran;2-(7-bromo-9,9-dimethylfluoren-2-yl)dibenzofuran;2-(3-bromophenyl)dibenzofuran;2-(4-bromophenyl)dibenzofuran;5-(4-bromophenyl)naphtho[2,1-b][1]benzothiole;2-[3-(4-bromophenyl)phenyl]dibenzofuran with MolForge

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Related Compounds

7-dibenzofuran-2-yl-9,9-dimethyl-N,N-bis[4-(3-phenylphenyl)phenyl]fluoren-2-amine;7-dibenzofuran-2-yl-9,9-dimethyl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 157073472
N,N-bis(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine;N,N-bis(4-dibenzofuran-2-ylphenyl)-4-(4-phenylphenyl)aniline;4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 159396574
2-(8-bromodibenzothiophen-2-yl)dibenzofuran
CID 146301047
2-dibenzofuran-1-yl-4-dibenzothiophen-1-yl-6-[8-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002602
7-dibenzothiophen-2-yl-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 158200664
2-(9,9-dimethylfluoren-2-yl)dibenzofuran
CID 122548566
N-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;N-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 161197514
3-dibenzofuran-2-yl-9-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)-6-(4-phenylphenyl)carbazole
CID 118098960
N,N-bis(4-dibenzofuran-2-ylphenyl)-4-(4-phenylphenyl)aniline;7-dibenzofuran-2-yl-9,9-dimethyl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 159384887
9-bromo-7,7-dimethylfluoreno[2,3-b][1]benzofuran
CID 130288485
7-[5-(4-dibenzofuran-2-ylphenyl)thiophen-2-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N-[4-[5-(4-dibenzofuran-2-ylphenyl)thiophen-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-[5-(4-dibenzofuran-2-ylphenyl)thiophen-2-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 159025107
N,N-bis(4-dibenzofuran-2-ylphenyl)-4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]aniline;4-dibenzofuran-2-yl-N,N-bis(4-dibenzofuran-2-ylphenyl)aniline;7-dibenzofuran-2-yl-N,N-bis(4-dibenzofuran-2-ylphenyl)-9,9-dimethylfluoren-2-amine;N,N,4-tris(4-dibenzofuran-2-ylphenyl)aniline
CID 158947437

Frequently Asked Questions

What is the IUPAC name of 2-bromodibenzofuran;2-(7-bromo-9,9-dimethylfluoren-2-yl)dibenzofuran;2-(3-bromophenyl)dibenzofuran;2-(4-bromophenyl)dibenzofuran;5-(4-bromophenyl)naphtho[2,1-b][1]benzothiole;2-[3-(4-bromophenyl)phenyl]dibenzofuran?
The IUPAC name of 2-bromodibenzofuran;2-(7-bromo-9,9-dimethylfluoren-2-yl)dibenzofuran;2-(3-bromophenyl)dibenzofuran;2-(4-bromophenyl)dibenzofuran;5-(4-bromophenyl)naphtho[2,1-b][1]benzothiole;2-[3-(4-bromophenyl)phenyl]dibenzofuran (CID 161215238) is 2-bromodibenzofuran;2-(7-bromo-9,9-dimethylfluoren-2-yl)dibenzofuran;2-(3-bromophenyl)dibenzofuran;2-(4-bromophenyl)dibenzofuran;5-(4-bromophenyl)naphtho[2,1-b][1]benzothiole;2-[3-(4-bromophenyl)phenyl]dibenzofuran.
What is the SMILES notation for 2-bromodibenzofuran;2-(7-bromo-9,9-dimethylfluoren-2-yl)dibenzofuran;2-(3-bromophenyl)dibenzofuran;2-(4-bromophenyl)dibenzofuran;5-(4-bromophenyl)naphtho[2,1-b][1]benzothiole;2-[3-(4-bromophenyl)phenyl]dibenzofuran?
The canonical SMILES for 2-bromodibenzofuran;2-(7-bromo-9,9-dimethylfluoren-2-yl)dibenzofuran;2-(3-bromophenyl)dibenzofuran;2-(4-bromophenyl)dibenzofuran;5-(4-bromophenyl)naphtho[2,1-b][1]benzothiole;2-[3-(4-bromophenyl)phenyl]dibenzofuran is Brc1ccc(-c2cc3sc4ccccc4c3c3ccccc23)cc1.Brc1ccc(-c2ccc3oc4ccccc4c3c2)cc1.Brc1ccc(-c2cccc(-c3ccc4oc5ccccc5c4c3)c2)cc1.Brc1ccc2oc3ccccc3c2c1.Brc1cccc(-c2ccc3oc4ccccc4c3c2)c1.CC1(C)c2cc(Br)ccc2-c2ccc(-c3ccc4oc5ccccc5c4c3)cc21.
What is the InChIKey of 2-bromodibenzofuran;2-(7-bromo-9,9-dimethylfluoren-2-yl)dibenzofuran;2-(3-bromophenyl)dibenzofuran;2-(4-bromophenyl)dibenzofuran;5-(4-bromophenyl)naphtho[2,1-b][1]benzothiole;2-[3-(4-bromophenyl)phenyl]dibenzofuran?
The InChIKey is UWTRWUGBTJOPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19BrO.C24H15BrO.C22H13BrS.2C18H11BrO.C12H7BrO/c1-27(2)23-14-17(7-10-19(23)20-11-9-18(28)15-24(20)27)16-8-12-26-22(13-16)21-5-3-4-6-25(21)29-26;25-20-11-8-16(9-12-20)17-4-3-5-18(14-17)19-10-13-24-22(15-19)21-6-1-2-7-23(21)26-24;23-15-11-9-14(10-12-15)19-13-21-22(17-6-2-1-5-16(17)19)18-7-3-4-8-20(18)24-21;19-14-5-3-4-12(10-14)13-8-9-18-16(11-13)15-6-1-2-7-17(15)20-18;19-14-8-5-12(6-9-14)13-7-10-18-16(11-13)15-3-1-2-4-17(15)20-18;13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h3-15H,1-2H3;1-15H;1-13H;2*1-11H;1-7H.
What are the key properties of 2-bromodibenzofuran;2-(7-bromo-9,9-dimethylfluoren-2-yl)dibenzofuran;2-(3-bromophenyl)dibenzofuran;2-(4-bromophenyl)dibenzofuran;5-(4-bromophenyl)naphtho[2,1-b][1]benzothiole;2-[3-(4-bromophenyl)phenyl]dibenzofuran?
2-bromodibenzofuran;2-(7-bromo-9,9-dimethylfluoren-2-yl)dibenzofuran;2-(3-bromophenyl)dibenzofuran;2-(4-bromophenyl)dibenzofuran;5-(4-bromophenyl)naphtho[2,1-b][1]benzothiole;2-[3-(4-bromophenyl)phenyl]dibenzofuran has a molecular weight of 2121.42 g/mol, XLogP of 40.02, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromodibenzofuran;2-(7-bromo-9,9-dimethylfluoren-2-yl)dibenzofuran;2-(3-bromophenyl)dibenzofuran;2-(4-bromophenyl)dibenzofuran;5-(4-bromophenyl)naphtho[2,1-b][1]benzothiole;2-[3-(4-bromophenyl)phenyl]dibenzofuran is sourced from PubChem (CID 161215238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).