9-[10-(4-triphenylen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran

C54H32O — CID 134487734

IUPAC9-[10-(4-triphenylen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
SMILESc1ccc2c(c1)ccc1c3ccc(-c4c5ccccc5c(-c5ccc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc5)c5ccccc45)cc3oc21
InChIInChI=1S/C54H32O/c1-2-12-38-34(11-1)25-30-49-44-29-27-37(32-51(44)55-54(38)49)53-47-19-9-7-17-45(47)52(46-18-8-10-20-48(46)53)35-23-21-33(22-24-35)36-26-28-43-41-15-4-3-13-39(41)40-14-5-6-16-42(40)50(43)31-36/h1-32H
InChIKeyVVLRBLKOPPKJHB-UHFFFAOYSA-N
MW696.85 g/mol
LogP15.51
Rot. Bonds3

About 9-[10-(4-triphenylen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran

9-[10-(4-triphenylen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran (PubChem CID 134487734) has the molecular formula C54H32O and a molecular weight of 696.85 g/mol. Its IUPAC name is 9-[10-(4-triphenylen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran.

Molecular Properties

Compound Name9-[10-(4-triphenylen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
PubChem CID134487734
Molecular FormulaC54H32O
Molecular Weight696.85 g/mol
Exact Mass696.25
IUPAC Name9-[10-(4-triphenylen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
SMILESc1ccc2c(c1)ccc1c3ccc(-c4c5ccccc5c(-c5ccc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc5)c5ccccc45)cc3oc21
InChIInChI=1S/C54H32O/c1-2-12-38-34(11-1)25-30-49-44-29-27-37(32-51(44)55-54(38)49)53-47-19-9-7-17-45(47)52(46-18-8-10-20-48(46)53)35-23-21-33(22-24-35)36-26-28-43-41-15-4-3-13-39(41)40-14-5-6-16-42(40)50(43)31-36/h1-32H
InChIKeyVVLRBLKOPPKJHB-UHFFFAOYSA-N
XLogP15.51
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.85
LogP ≤ 515.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9-[10-[4-(2-triphenylen-2-ylphenyl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 174273669
9-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 90433768
9-[10-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 170653982
9-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 118402665
2-(3,10-diphenylanthracen-9-yl)dibenzofuran;2-(2,10-diphenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(3,10-diphenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(3-naphthalen-2-yl-10-phenylanthracen-9-yl)dibenzofuran;2-(10-naphthalen-2-yl-3-phenylanthracen-9-yl)dibenzofuran;2-(2-naphthalen-2-yl-10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(3-naphthalen-2-yl-10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;8-(10-naphtho[1,2-b][1]benzofuran-8-yl-2-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
CID 167547924
2-(3,10-diphenylanthracen-9-yl)dibenzofuran;2-(3,10-diphenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(3-naphthalen-2-yl-10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;8-(10-naphtho[1,2-b][1]benzofuran-8-yl-2-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
CID 159706352
9-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 158942554
9-[1,2,3,4,5,6,7,8-octadeuterio-10-(3-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 153436430
9-[4-(1,2,3,4,5,6,7,8-octadeuterio-10-naphtho[2,1-b][1]benzofuran-9-ylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran
CID 153436628
9-[10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 134487746
7-[4-(10-phenylanthracen-9-yl)phenyl]-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene
CID 130190112
9-[10-(4-phenylnaphthalen-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 174167817

Frequently Asked Questions

What is the IUPAC name of 9-[10-(4-triphenylen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran?
The IUPAC name of 9-[10-(4-triphenylen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran (CID 134487734) is 9-[10-(4-triphenylen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran.
What is the SMILES notation for 9-[10-(4-triphenylen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran?
The canonical SMILES for 9-[10-(4-triphenylen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran is c1ccc2c(c1)ccc1c3ccc(-c4c5ccccc5c(-c5ccc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc5)c5ccccc45)cc3oc21.
What is the InChIKey of 9-[10-(4-triphenylen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran?
The InChIKey is VVLRBLKOPPKJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32O/c1-2-12-38-34(11-1)25-30-49-44-29-27-37(32-51(44)55-54(38)49)53-47-19-9-7-17-45(47)52(46-18-8-10-20-48(46)53)35-23-21-33(22-24-35)36-26-28-43-41-15-4-3-13-39(41)40-14-5-6-16-42(40)50(43)31-36/h1-32H.
What are the key properties of 9-[10-(4-triphenylen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran?
9-[10-(4-triphenylen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran has a molecular weight of 696.85 g/mol, XLogP of 15.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[10-(4-triphenylen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 134487734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).