1-bromo-4-phenyl-6-propan-2-yldibenzofuran;4-phenyl-6-propan-2-yldibenzofuran

C42H35BrO2 — CID 158807275

IUPAC1-bromo-4-phenyl-6-propan-2-yldibenzofuran;4-phenyl-6-propan-2-yldibenzofuran
SMILESCC(C)c1cccc2c1oc1c(-c3ccccc3)ccc(Br)c12.CC(C)c1cccc2c1oc1c(-c3ccccc3)cccc12
InChIInChI=1S/C21H17BrO.C21H18O/c1-13(2)15-9-6-10-17-19-18(22)12-11-16(21(19)23-20(15)17)14-7-4-3-5-8-14;1-14(2)16-10-6-12-18-19-13-7-11-17(21(19)22-20(16)18)15-8-4-3-5-9-15/h3-13H,1-2H3;3-14H,1-2H3
InChIKeyIUFSBNNOOUKBCT-UHFFFAOYSA-N
MW651.64 g/mol
LogP13.52
Rot. Bonds4

About 1-bromo-4-phenyl-6-propan-2-yldibenzofuran;4-phenyl-6-propan-2-yldibenzofuran

1-bromo-4-phenyl-6-propan-2-yldibenzofuran;4-phenyl-6-propan-2-yldibenzofuran (PubChem CID 158807275) has the molecular formula C42H35BrO2 and a molecular weight of 651.64 g/mol. Its IUPAC name is 1-bromo-4-phenyl-6-propan-2-yldibenzofuran;4-phenyl-6-propan-2-yldibenzofuran.

Molecular Properties

Compound Name1-bromo-4-phenyl-6-propan-2-yldibenzofuran;4-phenyl-6-propan-2-yldibenzofuran
PubChem CID158807275
Molecular FormulaC42H35BrO2
Molecular Weight651.64 g/mol
Exact Mass650.18
IUPAC Name1-bromo-4-phenyl-6-propan-2-yldibenzofuran;4-phenyl-6-propan-2-yldibenzofuran
SMILESCC(C)c1cccc2c1oc1c(-c3ccccc3)ccc(Br)c12.CC(C)c1cccc2c1oc1c(-c3ccccc3)cccc12
InChIInChI=1S/C21H17BrO.C21H18O/c1-13(2)15-9-6-10-17-19-18(22)12-11-16(21(19)23-20(15)17)14-7-4-3-5-8-14;1-14(2)16-10-6-12-18-19-13-7-11-17(21(19)22-20(16)18)15-8-4-3-5-9-15/h3-13H,1-2H3;3-14H,1-2H3
InChIKeyIUFSBNNOOUKBCT-UHFFFAOYSA-N
XLogP13.52
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.64
LogP ≤ 513.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-1-phenyl-6-(6-propan-2-yldibenzofuran-1-yl)dibenzofuran;22-phenyl-8-propan-2-yl-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1(17),2(14),3(11),4(9),5,7,12,18,20(28),21,23,25-dodecaene-15,16-dione
CID 160597170
4-phenyl-6-[4-(4-propan-2-ylphenyl)phenyl]dibenzofuran
CID 67964041
4-(3-bromonaphthalen-2-yl)-6-phenyldibenzofuran
CID 118616510
6-phenyl-10-propan-2-yl-[1]benzofuro[3,2-c]quinoline
CID 167354912
4-bromo-6-phenyldibenzofuran;4-phenyldibenzofuran
CID 158212345
1,9-dibromo-N-naphthalen-2-yl-N,6-diphenyldibenzofuran-4-amine;N-naphthalen-2-yl-N,6-diphenyldibenzofuran-4-amine
CID 160735039
1,6-diphenyldibenzofuran
CID 145331756
N-phenyl-4-(6-phenyldibenzofuran-4-yl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]aniline
CID 131997663
4,5-dibromo-1-phenylnaphthalene
CID 155350544
2-(1,6-diphenyldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 164838475
1-N,6-N-bis(2-methylphenyl)-1-N,6-N-bis(6-phenyldibenzofuran-4-yl)-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 144583526
1,9-dibromo-6-[4-(2-naphthalen-2-ylphenyl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine;6-[4-(2-naphthalen-2-ylphenyl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 158002248

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-phenyl-6-propan-2-yldibenzofuran;4-phenyl-6-propan-2-yldibenzofuran?
The IUPAC name of 1-bromo-4-phenyl-6-propan-2-yldibenzofuran;4-phenyl-6-propan-2-yldibenzofuran (CID 158807275) is 1-bromo-4-phenyl-6-propan-2-yldibenzofuran;4-phenyl-6-propan-2-yldibenzofuran.
What is the SMILES notation for 1-bromo-4-phenyl-6-propan-2-yldibenzofuran;4-phenyl-6-propan-2-yldibenzofuran?
The canonical SMILES for 1-bromo-4-phenyl-6-propan-2-yldibenzofuran;4-phenyl-6-propan-2-yldibenzofuran is CC(C)c1cccc2c1oc1c(-c3ccccc3)ccc(Br)c12.CC(C)c1cccc2c1oc1c(-c3ccccc3)cccc12.
What is the InChIKey of 1-bromo-4-phenyl-6-propan-2-yldibenzofuran;4-phenyl-6-propan-2-yldibenzofuran?
The InChIKey is IUFSBNNOOUKBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrO.C21H18O/c1-13(2)15-9-6-10-17-19-18(22)12-11-16(21(19)23-20(15)17)14-7-4-3-5-8-14;1-14(2)16-10-6-12-18-19-13-7-11-17(21(19)22-20(16)18)15-8-4-3-5-9-15/h3-13H,1-2H3;3-14H,1-2H3.
What are the key properties of 1-bromo-4-phenyl-6-propan-2-yldibenzofuran;4-phenyl-6-propan-2-yldibenzofuran?
1-bromo-4-phenyl-6-propan-2-yldibenzofuran;4-phenyl-6-propan-2-yldibenzofuran has a molecular weight of 651.64 g/mol, XLogP of 13.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-phenyl-6-propan-2-yldibenzofuran;4-phenyl-6-propan-2-yldibenzofuran is sourced from PubChem (CID 158807275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).