2-(6-tert-butyl-11-dibenzofuran-2-yltriphenylen-2-yl)dibenzofuran

C46H32O2 — CID 144568487

IUPAC2-(6-tert-butyl-11-dibenzofuran-2-yltriphenylen-2-yl)dibenzofuran
SMILESCC(C)(C)c1ccc2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3cc(-c4ccc5oc6ccccc6c5c4)ccc3c2c1
InChIInChI=1S/C46H32O2/c1-46(2,3)31-16-19-33-32-17-12-27(29-14-20-44-40(24-29)35-8-4-6-10-42(35)47-44)22-37(32)38-23-28(13-18-34(38)39(33)26-31)30-15-21-45-41(25-30)36-9-5-7-11-43(36)48-45/h4-26H,1-3H3
InChIKeyUYZGJRHFOHRVRR-UHFFFAOYSA-N
MW616.76 g/mol
LogP13.58
Rot. Bonds2

About 2-(6-tert-butyl-11-dibenzofuran-2-yltriphenylen-2-yl)dibenzofuran

2-(6-tert-butyl-11-dibenzofuran-2-yltriphenylen-2-yl)dibenzofuran (PubChem CID 144568487) has the molecular formula C46H32O2 and a molecular weight of 616.76 g/mol. Its IUPAC name is 2-(6-tert-butyl-11-dibenzofuran-2-yltriphenylen-2-yl)dibenzofuran.

Molecular Properties

Compound Name2-(6-tert-butyl-11-dibenzofuran-2-yltriphenylen-2-yl)dibenzofuran
PubChem CID144568487
Molecular FormulaC46H32O2
Molecular Weight616.76 g/mol
Exact Mass616.24
IUPAC Name2-(6-tert-butyl-11-dibenzofuran-2-yltriphenylen-2-yl)dibenzofuran
SMILESCC(C)(C)c1ccc2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3cc(-c4ccc5oc6ccccc6c5c4)ccc3c2c1
InChIInChI=1S/C46H32O2/c1-46(2,3)31-16-19-33-32-17-12-27(29-14-20-44-40(24-29)35-8-4-6-10-42(35)47-44)22-37(32)38-23-28(13-18-34(38)39(33)26-31)30-15-21-45-41(25-30)36-9-5-7-11-43(36)48-45/h4-26H,1-3H3
InChIKeyUYZGJRHFOHRVRR-UHFFFAOYSA-N
XLogP13.58
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.76
LogP ≤ 513.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-(2,6-ditert-butyl-10-phenylanthracen-9-yl)dibenzofuran
CID 134486680
2-[3-dibenzofuran-2-yl-5-[7-[3,5-di(dibenzofuran-2-yl)phenyl]triphenylen-2-yl]phenyl]dibenzofuran
CID 118490746
4-(10-tert-butyl-7-dibenzofuran-4-yltriphenylen-2-yl)dibenzofuran
CID 144568505
2,8-ditert-butyldibenzofuran
CID 14914466
6-[3-(3-triphenylen-2-ylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 163594432
2-[3-[9-(4-tert-butylphenyl)-10-phenylanthracen-2-yl]phenyl]dibenzofuran;2-[3-(9,10-diphenylanthracen-2-yl)phenyl]dibenzofuran;2-[3-[9-(4-methylphenyl)-10-phenylanthracen-2-yl]phenyl]dibenzofuran
CID 161222040
2-(4-tert-butylphenyl)-8-(9,10-ditert-butyl-6-phenylanthracen-2-yl)dibenzofuran
CID 90262330
N-(4-tert-butylphenyl)-N-(4-dibenzofuran-2-ylphenyl)phenanthren-2-amine
CID 121327873
3-(3-triphenylen-2-ylphenyl)dibenzofuran
CID 118231138
2-[3-(4-phenylphenyl)phenyl]-8-(3-triphenylen-2-ylphenyl)dibenzofuran
CID 118349959
2-[2,6,10-tri(dibenzofuran-2-yl)anthracen-9-yl]dibenzofuran
CID 143933892
2-(16-dibenzofuran-2-yl-5-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzofuran
CID 134428938

Frequently Asked Questions

What is the IUPAC name of 2-(6-tert-butyl-11-dibenzofuran-2-yltriphenylen-2-yl)dibenzofuran?
The IUPAC name of 2-(6-tert-butyl-11-dibenzofuran-2-yltriphenylen-2-yl)dibenzofuran (CID 144568487) is 2-(6-tert-butyl-11-dibenzofuran-2-yltriphenylen-2-yl)dibenzofuran.
What is the SMILES notation for 2-(6-tert-butyl-11-dibenzofuran-2-yltriphenylen-2-yl)dibenzofuran?
The canonical SMILES for 2-(6-tert-butyl-11-dibenzofuran-2-yltriphenylen-2-yl)dibenzofuran is CC(C)(C)c1ccc2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c3cc(-c4ccc5oc6ccccc6c5c4)ccc3c2c1.
What is the InChIKey of 2-(6-tert-butyl-11-dibenzofuran-2-yltriphenylen-2-yl)dibenzofuran?
The InChIKey is UYZGJRHFOHRVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32O2/c1-46(2,3)31-16-19-33-32-17-12-27(29-14-20-44-40(24-29)35-8-4-6-10-42(35)47-44)22-37(32)38-23-28(13-18-34(38)39(33)26-31)30-15-21-45-41(25-30)36-9-5-7-11-43(36)48-45/h4-26H,1-3H3.
What are the key properties of 2-(6-tert-butyl-11-dibenzofuran-2-yltriphenylen-2-yl)dibenzofuran?
2-(6-tert-butyl-11-dibenzofuran-2-yltriphenylen-2-yl)dibenzofuran has a molecular weight of 616.76 g/mol, XLogP of 13.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-tert-butyl-11-dibenzofuran-2-yltriphenylen-2-yl)dibenzofuran is sourced from PubChem (CID 144568487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).