2-[10-(3,5-diphenylphenyl)anthracen-9-yl]-3-phenyldibenzofuran

C50H32O — CID 139397243

IUPAC2-[10-(3,5-diphenylphenyl)anthracen-9-yl]-3-phenyldibenzofuran
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3c4ccccc4c(-c4cc5c(cc4-c4ccccc4)oc4ccccc45)c4ccccc34)c2)cc1
InChIInChI=1S/C50H32O/c1-4-16-33(17-5-1)36-28-37(34-18-6-2-7-19-34)30-38(29-36)49-40-23-10-12-25-42(40)50(43-26-13-11-24-41(43)49)46-31-45-39-22-14-15-27-47(39)51-48(45)32-44(46)35-20-8-3-9-21-35/h1-32H
InChIKeyPINWFSCCGVCGOK-UHFFFAOYSA-N
MW648.81 g/mol
LogP14.23
Rot. Bonds5

About 2-[10-(3,5-diphenylphenyl)anthracen-9-yl]-3-phenyldibenzofuran

2-[10-(3,5-diphenylphenyl)anthracen-9-yl]-3-phenyldibenzofuran (PubChem CID 139397243) has the molecular formula C50H32O and a molecular weight of 648.81 g/mol. Its IUPAC name is 2-[10-(3,5-diphenylphenyl)anthracen-9-yl]-3-phenyldibenzofuran.

Molecular Properties

Compound Name2-[10-(3,5-diphenylphenyl)anthracen-9-yl]-3-phenyldibenzofuran
PubChem CID139397243
Molecular FormulaC50H32O
Molecular Weight648.81 g/mol
Exact Mass648.25
IUPAC Name2-[10-(3,5-diphenylphenyl)anthracen-9-yl]-3-phenyldibenzofuran
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3c4ccccc4c(-c4cc5c(cc4-c4ccccc4)oc4ccccc45)c4ccccc34)c2)cc1
InChIInChI=1S/C50H32O/c1-4-16-33(17-5-1)36-28-37(34-18-6-2-7-19-34)30-38(29-36)49-40-23-10-12-25-42(40)50(43-26-13-11-24-41(43)49)46-31-45-39-22-14-15-27-47(39)51-48(45)32-44(46)35-20-8-3-9-21-35/h1-32H
InChIKeyPINWFSCCGVCGOK-UHFFFAOYSA-N
XLogP14.23
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.81
LogP ≤ 514.23
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

3-phenyl-2-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 155334783
2-[10-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]-3-phenyldibenzofuran
CID 170653692
2,3-diphenyldibenzofuran
CID 12699263
7-[10-(2-phenylphenyl)anthracen-9-yl]-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 170654309
2-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58050596
4-phenyl-N-[4-[4-(2-phenyldibenzofuran-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 135277321
2-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 135208803
3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 146350651
N,4-diphenyl-N-[4-[4-(2-phenyldibenzofuran-3-yl)phenyl]phenyl]aniline
CID 135277320
2-[3-(9,10-diphenylanthracen-2-yl)-5-(3-phenylphenyl)phenyl]dibenzofuran
CID 58261864
9-[4-(10-phenylanthracen-9-yl)phenyl]-12,22-dioxahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 130185275
3-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 118671052

Frequently Asked Questions

What is the IUPAC name of 2-[10-(3,5-diphenylphenyl)anthracen-9-yl]-3-phenyldibenzofuran?
The IUPAC name of 2-[10-(3,5-diphenylphenyl)anthracen-9-yl]-3-phenyldibenzofuran (CID 139397243) is 2-[10-(3,5-diphenylphenyl)anthracen-9-yl]-3-phenyldibenzofuran.
What is the SMILES notation for 2-[10-(3,5-diphenylphenyl)anthracen-9-yl]-3-phenyldibenzofuran?
The canonical SMILES for 2-[10-(3,5-diphenylphenyl)anthracen-9-yl]-3-phenyldibenzofuran is c1ccc(-c2cc(-c3ccccc3)cc(-c3c4ccccc4c(-c4cc5c(cc4-c4ccccc4)oc4ccccc45)c4ccccc34)c2)cc1.
What is the InChIKey of 2-[10-(3,5-diphenylphenyl)anthracen-9-yl]-3-phenyldibenzofuran?
The InChIKey is PINWFSCCGVCGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32O/c1-4-16-33(17-5-1)36-28-37(34-18-6-2-7-19-34)30-38(29-36)49-40-23-10-12-25-42(40)50(43-26-13-11-24-41(43)49)46-31-45-39-22-14-15-27-47(39)51-48(45)32-44(46)35-20-8-3-9-21-35/h1-32H.
What are the key properties of 2-[10-(3,5-diphenylphenyl)anthracen-9-yl]-3-phenyldibenzofuran?
2-[10-(3,5-diphenylphenyl)anthracen-9-yl]-3-phenyldibenzofuran has a molecular weight of 648.81 g/mol, XLogP of 14.23, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(3,5-diphenylphenyl)anthracen-9-yl]-3-phenyldibenzofuran is sourced from PubChem (CID 139397243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).