3-bromo-6-(7,7-diphenylbenzo[c]fluoren-2-yl)dibenzofuran

C41H25BrO — CID 155318563

IUPAC3-bromo-6-(7,7-diphenylbenzo[c]fluoren-2-yl)dibenzofuran
SMILESBrc1ccc2c(c1)oc1c(-c3ccc4ccc5c(c4c3)-c3ccccc3C5(c3ccccc3)c3ccccc3)cccc12
InChIInChI=1S/C41H25BrO/c42-30-21-22-32-33-16-9-15-31(40(33)43-38(32)25-30)27-19-18-26-20-23-37-39(35(26)24-27)34-14-7-8-17-36(34)41(37,28-10-3-1-4-11-28)29-12-5-2-6-13-29/h1-25H
InChIKeyDWATUKOCEXIIHB-UHFFFAOYSA-N
MW613.55 g/mol
LogP11.53
Rot. Bonds3

About 3-bromo-6-(7,7-diphenylbenzo[c]fluoren-2-yl)dibenzofuran

3-bromo-6-(7,7-diphenylbenzo[c]fluoren-2-yl)dibenzofuran (PubChem CID 155318563) has the molecular formula C41H25BrO and a molecular weight of 613.55 g/mol. Its IUPAC name is 3-bromo-6-(7,7-diphenylbenzo[c]fluoren-2-yl)dibenzofuran.

Molecular Properties

Compound Name3-bromo-6-(7,7-diphenylbenzo[c]fluoren-2-yl)dibenzofuran
PubChem CID155318563
Molecular FormulaC41H25BrO
Molecular Weight613.55 g/mol
Exact Mass612.11
IUPAC Name3-bromo-6-(7,7-diphenylbenzo[c]fluoren-2-yl)dibenzofuran
SMILESBrc1ccc2c(c1)oc1c(-c3ccc4ccc5c(c4c3)-c3ccccc3C5(c3ccccc3)c3ccccc3)cccc12
InChIInChI=1S/C41H25BrO/c42-30-21-22-32-33-16-9-15-31(40(33)43-38(32)25-30)27-19-18-26-20-23-37-39(35(26)24-27)34-14-7-8-17-36(34)41(37,28-10-3-1-4-11-28)29-12-5-2-6-13-29/h1-25H
InChIKeyDWATUKOCEXIIHB-UHFFFAOYSA-N
XLogP11.53
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.55
LogP ≤ 511.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-diphenylfluoren-4-yl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 177121793
2-dibenzofuran-3-yl-4-dibenzofuran-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine
CID 167349495
N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)-7-spiro[benzo[c]fluorene-7,9'-fluorene]-1'-ylfluoren-2-amine
CID 130380116
4-(7-dibenzofuran-4-yl-9,9-diphenylfluoren-2-yl)dibenzofuran
CID 135131477
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-6-phenyldibenzofuran-3-amine
CID 169302165
7,7-diphenyl-3-(4,5,9,10-tetradeuteriopyren-1-yl)fluoreno[4,3-b][1]benzofuran
CID 169035189
N-(4-dibenzofuran-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-N-methylaniline
CID 174178797
N,N-bis(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 177121766
3-dibenzofuran-4-yl-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline;N-(3-dibenzofuran-4-ylphenyl)-3-(9,9-diphenylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 158258479
N-(4-dibenzofuran-4-ylphenyl)-3-(9,9-diphenylfluoren-4-yl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 157395507
4-(4-dibenzofuran-4-ylphenyl)-6-[2-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171602182
N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424209

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(7,7-diphenylbenzo[c]fluoren-2-yl)dibenzofuran?
The IUPAC name of 3-bromo-6-(7,7-diphenylbenzo[c]fluoren-2-yl)dibenzofuran (CID 155318563) is 3-bromo-6-(7,7-diphenylbenzo[c]fluoren-2-yl)dibenzofuran.
What is the SMILES notation for 3-bromo-6-(7,7-diphenylbenzo[c]fluoren-2-yl)dibenzofuran?
The canonical SMILES for 3-bromo-6-(7,7-diphenylbenzo[c]fluoren-2-yl)dibenzofuran is Brc1ccc2c(c1)oc1c(-c3ccc4ccc5c(c4c3)-c3ccccc3C5(c3ccccc3)c3ccccc3)cccc12.
What is the InChIKey of 3-bromo-6-(7,7-diphenylbenzo[c]fluoren-2-yl)dibenzofuran?
The InChIKey is DWATUKOCEXIIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25BrO/c42-30-21-22-32-33-16-9-15-31(40(33)43-38(32)25-30)27-19-18-26-20-23-37-39(35(26)24-27)34-14-7-8-17-36(34)41(37,28-10-3-1-4-11-28)29-12-5-2-6-13-29/h1-25H.
What are the key properties of 3-bromo-6-(7,7-diphenylbenzo[c]fluoren-2-yl)dibenzofuran?
3-bromo-6-(7,7-diphenylbenzo[c]fluoren-2-yl)dibenzofuran has a molecular weight of 613.55 g/mol, XLogP of 11.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-(7,7-diphenylbenzo[c]fluoren-2-yl)dibenzofuran is sourced from PubChem (CID 155318563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).