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

C137H94O3 — CID 161222040

IUPAC2-[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
SMILESCC(C)(C)c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccc(-c4cccc(-c5ccc6oc7ccccc7c6c5)c4)cc23)cc1.Cc1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccc(-c4cccc(-c5ccc6oc7ccccc7c6c5)c4)cc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4cccc(-c5ccc6oc7ccccc7c6c5)c4)ccc23)cc1
InChIInChI=1S/C48H36O.C45H30O.C44H28O/c1-48(2,3)37-24-20-32(21-25-37)47-40-18-8-7-17-39(40)46(31-12-5-4-6-13-31)41-26-22-35(30-43(41)47)33-14-11-15-34(28-33)36-23-27-45-42(29-36)38-16-9-10-19-44(38)49-45;1-29-18-20-31(21-19-29)45-38-16-6-5-15-37(38)44(30-10-3-2-4-11-30)39-24-22-34(28-41(39)45)32-12-9-13-33(26-32)35-23-25-43-40(27-35)36-14-7-8-17-42(36)46-43;1-3-12-29(13-4-1)43-36-19-7-8-20-37(36)44(30-14-5-2-6-15-30)40-28-33(22-24-38(40)43)31-16-11-17-32(26-31)34-23-25-42-39(27-34)35-18-9-10-21-41(35)45-42/h4-30H,1-3H3;2-28H,1H3;1-28H
InChIKeyUXQIKXKBPFFLRO-UHFFFAOYSA-N
MW1788.26 g/mol
LogP39.29
Rot. Bonds12

About 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

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 (PubChem CID 161222040) has the molecular formula C137H94O3 and a molecular weight of 1788.26 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID161222040
Molecular FormulaC137H94O3
Molecular Weight1788.26 g/mol
Exact Mass1786.72
IUPAC Name2-[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
SMILESCC(C)(C)c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccc(-c4cccc(-c5ccc6oc7ccccc7c6c5)c4)cc23)cc1.Cc1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccc(-c4cccc(-c5ccc6oc7ccccc7c6c5)c4)cc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4cccc(-c5ccc6oc7ccccc7c6c5)c4)ccc23)cc1
InChIInChI=1S/C48H36O.C45H30O.C44H28O/c1-48(2,3)37-24-20-32(21-25-37)47-40-18-8-7-17-39(40)46(31-12-5-4-6-13-31)41-26-22-35(30-43(41)47)33-14-11-15-34(28-33)36-23-27-45-42(29-36)38-16-9-10-19-44(38)49-45;1-29-18-20-31(21-19-29)45-38-16-6-5-15-37(38)44(30-10-3-2-4-11-30)39-24-22-34(28-41(39)45)32-12-9-13-33(26-32)35-23-25-43-40(27-35)36-14-7-8-17-42(36)46-43;1-3-12-29(13-4-1)43-36-19-7-8-20-37(36)44(30-14-5-2-6-15-30)40-28-33(22-24-38(40)43)31-16-11-17-32(26-31)34-23-25-42-39(27-34)35-18-9-10-21-41(35)45-42/h4-30H,1-3H3;2-28H,1H3;1-28H
InChIKeyUXQIKXKBPFFLRO-UHFFFAOYSA-N
XLogP39.29
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms140
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001788.26
LogP ≤ 539.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

2-(2,6-ditert-butyl-10-phenylanthracen-9-yl)dibenzofuran
CID 134486680
2-[3-(9,10-diphenylanthracen-2-yl)-5-(3-phenylphenyl)phenyl]dibenzofuran
CID 58261864
6-[3-(10-phenylanthracen-9-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 122415782
2-[3-(3-methyl-10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran
CID 167060905
7-(9,10-diphenylanthracen-2-yl)-2-phenyldibenzofuran
CID 168795741
2-[2,6,10-tri(dibenzofuran-2-yl)anthracen-9-yl]dibenzofuran
CID 143933892
2,7-bis[4-(4-tert-butylphenyl)phenyl]-9,10-diphenylanthracene
CID 59745944
4-[9-(4-tert-butylphenyl)-10-dibenzofuran-4-ylanthracen-2-yl]dibenzofuran
CID 58991734
2-(6-tert-butyl-11-dibenzofuran-2-yltriphenylen-2-yl)dibenzofuran
CID 144568487
4-[3-(6-methyl-9,10-diphenylanthracen-2-yl)phenyl]dibenzofuran
CID 58262030
2-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 135208803
2-[3-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 58322844

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccc(-c4cccc(-c5ccc6oc7ccccc7c6c5)c4)cc23)cc1.Cc1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccc(-c4cccc(-c5ccc6oc7ccccc7c6c5)c4)cc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4cccc(-c5ccc6oc7ccccc7c6c5)c4)ccc23)cc1.
What is the InChIKey of 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?
The InChIKey is UXQIKXKBPFFLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36O.C45H30O.C44H28O/c1-48(2,3)37-24-20-32(21-25-37)47-40-18-8-7-17-39(40)46(31-12-5-4-6-13-31)41-26-22-35(30-43(41)47)33-14-11-15-34(28-33)36-23-27-45-42(29-36)38-16-9-10-19-44(38)49-45;1-29-18-20-31(21-19-29)45-38-16-6-5-15-37(38)44(30-10-3-2-4-11-30)39-24-22-34(28-41(39)45)32-12-9-13-33(26-32)35-23-25-43-40(27-35)36-14-7-8-17-42(36)46-43;1-3-12-29(13-4-1)43-36-19-7-8-20-37(36)44(30-14-5-2-6-15-30)40-28-33(22-24-38(40)43)31-16-11-17-32(26-31)34-23-25-42-39(27-34)35-18-9-10-21-41(35)45-42/h4-30H,1-3H3;2-28H,1H3;1-28H.
What are the key properties of 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?
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 has a molecular weight of 1788.26 g/mol, XLogP of 39.29, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161222040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).