2-(4-tert-butylphenyl)-8-(9,10-ditert-butyl-6-phenylanthracen-2-yl)dibenzofuran

C50H48O — CID 90262330

IUPAC2-(4-tert-butylphenyl)-8-(9,10-ditert-butyl-6-phenylanthracen-2-yl)dibenzofuran
SMILESCC(C)(C)c1ccc(-c2ccc3oc4ccc(-c5ccc6c(C(C)(C)C)c7cc(-c8ccccc8)ccc7c(C(C)(C)C)c6c5)cc4c3c2)cc1
InChIInChI=1S/C50H48O/c1-48(2,3)37-21-15-32(16-22-37)34-19-25-44-40(27-34)41-28-36(20-26-45(41)51-44)35-18-24-39-43(30-35)47(50(7,8)9)38-23-17-33(31-13-11-10-12-14-31)29-42(38)46(39)49(4,5)6/h10-30H,1-9H3
InChIKeyXQGIJOBWXGPPJC-UHFFFAOYSA-N
MW664.93 g/mol
LogP14.79
Rot. Bonds3

About 2-(4-tert-butylphenyl)-8-(9,10-ditert-butyl-6-phenylanthracen-2-yl)dibenzofuran

2-(4-tert-butylphenyl)-8-(9,10-ditert-butyl-6-phenylanthracen-2-yl)dibenzofuran (PubChem CID 90262330) has the molecular formula C50H48O and a molecular weight of 664.93 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-8-(9,10-ditert-butyl-6-phenylanthracen-2-yl)dibenzofuran.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-8-(9,10-ditert-butyl-6-phenylanthracen-2-yl)dibenzofuran
PubChem CID90262330
Molecular FormulaC50H48O
Molecular Weight664.93 g/mol
Exact Mass664.37
IUPAC Name2-(4-tert-butylphenyl)-8-(9,10-ditert-butyl-6-phenylanthracen-2-yl)dibenzofuran
SMILESCC(C)(C)c1ccc(-c2ccc3oc4ccc(-c5ccc6c(C(C)(C)C)c7cc(-c8ccccc8)ccc7c(C(C)(C)C)c6c5)cc4c3c2)cc1
InChIInChI=1S/C50H48O/c1-48(2,3)37-21-15-32(16-22-37)34-19-25-44-40(27-34)41-28-36(20-26-45(41)51-44)35-18-24-39-43(30-35)47(50(7,8)9)38-23-17-33(31-13-11-10-12-14-31)29-42(38)46(39)49(4,5)6/h10-30H,1-9H3
InChIKeyXQGIJOBWXGPPJC-UHFFFAOYSA-N
XLogP14.79
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.93
LogP ≤ 514.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-(6-tert-butyl-11-dibenzofuran-2-yltriphenylen-2-yl)dibenzofuran
CID 144568487
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-(2,6-ditert-butyl-10-phenylanthracen-9-yl)dibenzofuran
CID 134486680
2-[3-(4-phenylphenyl)phenyl]-8-(3-triphenylen-2-ylphenyl)dibenzofuran
CID 118349959
2,7-bis[4-(4-tert-butylphenyl)phenyl]-9,10-diphenylanthracene
CID 59745944
4-tert-butyl-2-(7-phenyldibenzofuran-2-yl)pyridine
CID 155610550
9,27-diphenyl-13,17,21,31-tetraoxanonacyclo[18.14.0.03,18.04,16.06,14.07,12.022,34.024,32.025,30]tetratriaconta-1(20),2,4(16),5,7(12),8,10,14,18,22,24(32),25(30),26,28,33-pentadecaene
CID 58004021
N-(7-tert-butyldibenzofuran-1-yl)-8-phenyldibenzofuran-1-amine
CID 168759232
N-(8-tert-butyldibenzofuran-1-yl)-8-phenyldibenzofuran-1-amine
CID 176759764
N-(4-tert-butylphenyl)-N-(4-dibenzofuran-2-ylphenyl)phenanthren-2-amine
CID 121327873
ethane;2-(3-methylphenyl)-8-phenyldibenzofuran
CID 143904784
2-phenyl-8-(4-propan-2-ylphenyl)dibenzofuran
CID 67964002

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-8-(9,10-ditert-butyl-6-phenylanthracen-2-yl)dibenzofuran?
The IUPAC name of 2-(4-tert-butylphenyl)-8-(9,10-ditert-butyl-6-phenylanthracen-2-yl)dibenzofuran (CID 90262330) is 2-(4-tert-butylphenyl)-8-(9,10-ditert-butyl-6-phenylanthracen-2-yl)dibenzofuran.
What is the SMILES notation for 2-(4-tert-butylphenyl)-8-(9,10-ditert-butyl-6-phenylanthracen-2-yl)dibenzofuran?
The canonical SMILES for 2-(4-tert-butylphenyl)-8-(9,10-ditert-butyl-6-phenylanthracen-2-yl)dibenzofuran is CC(C)(C)c1ccc(-c2ccc3oc4ccc(-c5ccc6c(C(C)(C)C)c7cc(-c8ccccc8)ccc7c(C(C)(C)C)c6c5)cc4c3c2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-8-(9,10-ditert-butyl-6-phenylanthracen-2-yl)dibenzofuran?
The InChIKey is XQGIJOBWXGPPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H48O/c1-48(2,3)37-21-15-32(16-22-37)34-19-25-44-40(27-34)41-28-36(20-26-45(41)51-44)35-18-24-39-43(30-35)47(50(7,8)9)38-23-17-33(31-13-11-10-12-14-31)29-42(38)46(39)49(4,5)6/h10-30H,1-9H3.
What are the key properties of 2-(4-tert-butylphenyl)-8-(9,10-ditert-butyl-6-phenylanthracen-2-yl)dibenzofuran?
2-(4-tert-butylphenyl)-8-(9,10-ditert-butyl-6-phenylanthracen-2-yl)dibenzofuran has a molecular weight of 664.93 g/mol, XLogP of 14.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-8-(9,10-ditert-butyl-6-phenylanthracen-2-yl)dibenzofuran is sourced from PubChem (CID 90262330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).