9b-methyl-9-[10-(4-phenylphenyl)anthracen-9-yl]-4aH-dibenzofuran

C39H28O — CID 170227481

IUPAC9b-methyl-9-[10-(4-phenylphenyl)anthracen-9-yl]-4aH-dibenzofuran
SMILESCC12C=CC=CC1Oc1cccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c4ccccc34)c12
InChIInChI=1S/C39H28O/c1-39-25-10-9-20-35(39)40-34-19-11-18-33(38(34)39)37-31-16-7-5-14-29(31)36(30-15-6-8-17-32(30)37)28-23-21-27(22-24-28)26-12-3-2-4-13-26/h2-25,35H,1H3
InChIKeyWPEPLMSBVJEXMX-UHFFFAOYSA-N
MW512.65 g/mol
LogP10.14
Rot. Bonds3

About 9b-methyl-9-[10-(4-phenylphenyl)anthracen-9-yl]-4aH-dibenzofuran

9b-methyl-9-[10-(4-phenylphenyl)anthracen-9-yl]-4aH-dibenzofuran (PubChem CID 170227481) has the molecular formula C39H28O and a molecular weight of 512.65 g/mol. Its IUPAC name is 9b-methyl-9-[10-(4-phenylphenyl)anthracen-9-yl]-4aH-dibenzofuran.

Molecular Properties

Compound Name9b-methyl-9-[10-(4-phenylphenyl)anthracen-9-yl]-4aH-dibenzofuran
PubChem CID170227481
Molecular FormulaC39H28O
Molecular Weight512.65 g/mol
Exact Mass512.21
IUPAC Name9b-methyl-9-[10-(4-phenylphenyl)anthracen-9-yl]-4aH-dibenzofuran
SMILESCC12C=CC=CC1Oc1cccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c4ccccc34)c12
InChIInChI=1S/C39H28O/c1-39-25-10-9-20-35(39)40-34-19-11-18-33(38(34)39)37-31-16-7-5-14-29(31)36(30-15-6-8-17-32(30)37)28-23-21-27(22-24-28)26-12-3-2-4-13-26/h2-25,35H,1H3
InChIKeyWPEPLMSBVJEXMX-UHFFFAOYSA-N
XLogP10.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.65
LogP ≤ 510.14
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

9-[2-(4-phenylphenyl)phenyl]-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568797
methane;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
CID 143224896
9-phenyl-10-[4-(6-phenylcyclohexa-2,4-dien-1-yl)phenyl]anthracene
CID 141282251
14-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
CID 176590386
9-(4-methylphenyl)-10-phenylanthracene
CID 631292
9-(4-phenylnaphthalen-1-yl)-10-(4-phenylphenyl)anthracene
CID 123739520
9,10-bis[2-(4-phenylphenyl)phenyl]anthracene
CID 59090311
9-phenyl-10-[10-[4-(2-phenylphenyl)phenyl]anthracen-9-yl]anthracene
CID 140825339
9-(2-phenylphenyl)-20-(4-phenylphenyl)heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene
CID 59642746
9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-(3-phenylphenyl)-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
CID 161206323
9,10-bis(4-methylphenyl)anthracene;methane
CID 162058146
5-[4-[10-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)anthracen-9-yl]phenyl]-14-[10-(4-phenylphenyl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene
CID 166710535

Frequently Asked Questions

What is the IUPAC name of 9b-methyl-9-[10-(4-phenylphenyl)anthracen-9-yl]-4aH-dibenzofuran?
The IUPAC name of 9b-methyl-9-[10-(4-phenylphenyl)anthracen-9-yl]-4aH-dibenzofuran (CID 170227481) is 9b-methyl-9-[10-(4-phenylphenyl)anthracen-9-yl]-4aH-dibenzofuran.
What is the SMILES notation for 9b-methyl-9-[10-(4-phenylphenyl)anthracen-9-yl]-4aH-dibenzofuran?
The canonical SMILES for 9b-methyl-9-[10-(4-phenylphenyl)anthracen-9-yl]-4aH-dibenzofuran is CC12C=CC=CC1Oc1cccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c4ccccc34)c12.
What is the InChIKey of 9b-methyl-9-[10-(4-phenylphenyl)anthracen-9-yl]-4aH-dibenzofuran?
The InChIKey is WPEPLMSBVJEXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H28O/c1-39-25-10-9-20-35(39)40-34-19-11-18-33(38(34)39)37-31-16-7-5-14-29(31)36(30-15-6-8-17-32(30)37)28-23-21-27(22-24-28)26-12-3-2-4-13-26/h2-25,35H,1H3.
What are the key properties of 9b-methyl-9-[10-(4-phenylphenyl)anthracen-9-yl]-4aH-dibenzofuran?
9b-methyl-9-[10-(4-phenylphenyl)anthracen-9-yl]-4aH-dibenzofuran has a molecular weight of 512.65 g/mol, XLogP of 10.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9b-methyl-9-[10-(4-phenylphenyl)anthracen-9-yl]-4aH-dibenzofuran is sourced from PubChem (CID 170227481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).