1-[2-[2-(2,3-diphenyl-9H-fluoren-1-yl)anthracen-1-yl]phenyl]naphtho[1,2-g][1]benzofuran

C61H38O — CID 166544924

IUPAC1-[2-[2-(2,3-diphenyl-9H-fluoren-1-yl)anthracen-1-yl]phenyl]naphtho[1,2-g][1]benzofuran
SMILESc1ccc(-c2cc3c(c(-c4ccc5cc6ccccc6cc5c4-c4ccccc4-c4coc5c4ccc4c6ccccc6ccc45)c2-c2ccccc2)Cc2ccccc2-3)cc1
InChIInChI=1S/C61H38O/c1-3-15-38(16-4-1)54-36-55-46-24-12-10-22-43(46)35-56(55)60(58(54)40-18-5-2-6-19-40)52-30-28-44-33-41-20-7-8-21-42(41)34-53(44)59(52)49-26-14-13-25-47(49)57-37-62-61-50-29-27-39-17-9-11-23-45(39)48(50)31-32-51(57)61/h1-34,36-37H,35H2
InChIKeyMFXARKOPCRDNQX-UHFFFAOYSA-N
MW786.97 g/mol
LogP16.95
Rot. Bonds5

About 1-[2-[2-(2,3-diphenyl-9H-fluoren-1-yl)anthracen-1-yl]phenyl]naphtho[1,2-g][1]benzofuran

1-[2-[2-(2,3-diphenyl-9H-fluoren-1-yl)anthracen-1-yl]phenyl]naphtho[1,2-g][1]benzofuran (PubChem CID 166544924) has the molecular formula C61H38O and a molecular weight of 786.97 g/mol. Its IUPAC name is 1-[2-[2-(2,3-diphenyl-9H-fluoren-1-yl)anthracen-1-yl]phenyl]naphtho[1,2-g][1]benzofuran.

Molecular Properties

Compound Name1-[2-[2-(2,3-diphenyl-9H-fluoren-1-yl)anthracen-1-yl]phenyl]naphtho[1,2-g][1]benzofuran
PubChem CID166544924
Molecular FormulaC61H38O
Molecular Weight786.97 g/mol
Exact Mass786.29
IUPAC Name1-[2-[2-(2,3-diphenyl-9H-fluoren-1-yl)anthracen-1-yl]phenyl]naphtho[1,2-g][1]benzofuran
SMILESc1ccc(-c2cc3c(c(-c4ccc5cc6ccccc6cc5c4-c4ccccc4-c4coc5c4ccc4c6ccccc6ccc45)c2-c2ccccc2)Cc2ccccc2-3)cc1
InChIInChI=1S/C61H38O/c1-3-15-38(16-4-1)54-36-55-46-24-12-10-22-43(46)35-56(55)60(58(54)40-18-5-2-6-19-40)52-30-28-44-33-41-20-7-8-21-42(41)34-53(44)59(52)49-26-14-13-25-47(49)57-37-62-61-50-29-27-39-17-9-11-23-45(39)48(50)31-32-51(57)61/h1-34,36-37H,35H2
InChIKeyMFXARKOPCRDNQX-UHFFFAOYSA-N
XLogP16.95
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.97
LogP ≤ 516.95
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'}

Analyze 1-[2-[2-(2,3-diphenyl-9H-fluoren-1-yl)anthracen-1-yl]phenyl]naphtho[1,2-g][1]benzofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[10-(2-naphtho[1,2-g][1]benzofuran-1-ylphenyl)anthracen-9-yl]phenyl]naphtho[1,2-g][1]benzofuran
CID 166545020
1-(2,3-dimethyl-9H-fluoren-1-yl)-2,3-diphenylanthracene
CID 166544861
3-(2-phenylphenyl)benzo[g][1]benzofuran
CID 176856254
1,2-bis(9H-fluoren-1-yl)anthracene
CID 174494637
1-(5,6,7,8,9-pentadeuterio-2,3-diphenylanthracen-1-yl)naphtho[1,2-g][1]benzofuran
CID 175875634
1-(9H-fluoren-1-yl)-2-naphthalen-1-yl-3-phenylanthracene
CID 141372306
12-(2-phenylanthracen-1-yl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene
CID 166544888
1-(2,3-dimethyl-9H-fluoren-1-yl)-2-(2-naphthalen-1-ylphenyl)anthracene
CID 166545030
heptacyclo[15.12.0.02,15.05,14.06,11.018,27.020,25]nonacosa-1(17),2(15),3,5(14),6,8,10,12,18,20,22,24,26,28-tetradecaene
CID 59742046
1-(2-phenylanthracen-1-yl)triphenylene
CID 166545008
3-naphthalen-1-yl-2-phenyl-9H-fluoren-1-amine
CID 175536333
1,2-diphenylpentacene
CID 22247158

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2,3-diphenyl-9H-fluoren-1-yl)anthracen-1-yl]phenyl]naphtho[1,2-g][1]benzofuran?
The IUPAC name of 1-[2-[2-(2,3-diphenyl-9H-fluoren-1-yl)anthracen-1-yl]phenyl]naphtho[1,2-g][1]benzofuran (CID 166544924) is 1-[2-[2-(2,3-diphenyl-9H-fluoren-1-yl)anthracen-1-yl]phenyl]naphtho[1,2-g][1]benzofuran.
What is the SMILES notation for 1-[2-[2-(2,3-diphenyl-9H-fluoren-1-yl)anthracen-1-yl]phenyl]naphtho[1,2-g][1]benzofuran?
The canonical SMILES for 1-[2-[2-(2,3-diphenyl-9H-fluoren-1-yl)anthracen-1-yl]phenyl]naphtho[1,2-g][1]benzofuran is c1ccc(-c2cc3c(c(-c4ccc5cc6ccccc6cc5c4-c4ccccc4-c4coc5c4ccc4c6ccccc6ccc45)c2-c2ccccc2)Cc2ccccc2-3)cc1.
What is the InChIKey of 1-[2-[2-(2,3-diphenyl-9H-fluoren-1-yl)anthracen-1-yl]phenyl]naphtho[1,2-g][1]benzofuran?
The InChIKey is MFXARKOPCRDNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H38O/c1-3-15-38(16-4-1)54-36-55-46-24-12-10-22-43(46)35-56(55)60(58(54)40-18-5-2-6-19-40)52-30-28-44-33-41-20-7-8-21-42(41)34-53(44)59(52)49-26-14-13-25-47(49)57-37-62-61-50-29-27-39-17-9-11-23-45(39)48(50)31-32-51(57)61/h1-34,36-37H,35H2.
What are the key properties of 1-[2-[2-(2,3-diphenyl-9H-fluoren-1-yl)anthracen-1-yl]phenyl]naphtho[1,2-g][1]benzofuran?
1-[2-[2-(2,3-diphenyl-9H-fluoren-1-yl)anthracen-1-yl]phenyl]naphtho[1,2-g][1]benzofuran has a molecular weight of 786.97 g/mol, XLogP of 16.95, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2,3-diphenyl-9H-fluoren-1-yl)anthracen-1-yl]phenyl]naphtho[1,2-g][1]benzofuran is sourced from PubChem (CID 166544924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).