3-[9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]chrysen-4-yl]dibenzofuran

C62H38O — CID 174177940

IUPAC3-[9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]chrysen-4-yl]dibenzofuran
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc6ccc7c(ccc8cccc(-c9ccc%10c(c9)oc9ccccc9%10)c87)c6c5)cc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C62H38O/c1-2-11-39(12-3-1)40-21-26-44(27-22-40)61-52-15-4-6-17-54(52)62(55-18-7-5-16-53(55)61)45-28-23-41(24-29-45)46-30-25-42-31-36-56-49(57(42)37-46)34-32-43-13-10-19-48(60(43)56)47-33-35-51-50-14-8-9-20-58(50)63-59(51)38-47/h1-38H
InChIKeyRAMKAZBITXGSJG-UHFFFAOYSA-N
MW798.99 g/mol
LogP17.69
Rot. Bonds5

About 3-[9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]chrysen-4-yl]dibenzofuran

3-[9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]chrysen-4-yl]dibenzofuran (PubChem CID 174177940) has the molecular formula C62H38O and a molecular weight of 798.99 g/mol. Its IUPAC name is 3-[9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]chrysen-4-yl]dibenzofuran.

Molecular Properties

Compound Name3-[9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]chrysen-4-yl]dibenzofuran
PubChem CID174177940
Molecular FormulaC62H38O
Molecular Weight798.99 g/mol
Exact Mass798.29
IUPAC Name3-[9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]chrysen-4-yl]dibenzofuran
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc6ccc7c(ccc8cccc(-c9ccc%10c(c9)oc9ccccc9%10)c87)c6c5)cc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C62H38O/c1-2-11-39(12-3-1)40-21-26-44(27-22-40)61-52-15-4-6-17-54(52)62(55-18-7-5-16-53(55)61)45-28-23-41(24-29-45)46-30-25-42-31-36-56-49(57(42)37-46)34-32-43-13-10-19-48(60(43)56)47-33-35-51-50-14-8-9-20-58(50)63-59(51)38-47/h1-38H
InChIKeyRAMKAZBITXGSJG-UHFFFAOYSA-N
XLogP17.69
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.99
LogP ≤ 517.69
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 3-[9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]chrysen-4-yl]dibenzofuran 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

2-(10-dibenzofuran-2-yl-3-phenylanthracen-9-yl)-7-naphthalen-1-yldibenzofuran
CID 168795842
2-[2-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzofuran;3-[4-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzofuran
CID 163870537
1-phenanthren-2-yl-9-(10-phenylanthracen-9-yl)dibenzofuran;7-phenanthren-9-yl-1-(10-phenylanthracen-9-yl)dibenzofuran;8-phenanthren-2-yl-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 158243132
2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;2-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 159962992
3-[8-dibenzofuran-3-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzofuran
CID 155334112
2-naphthalen-1-yl-7-(10-naphthalen-1-yl-9-phenylanthracen-2-yl)dibenzofuran
CID 168795775
3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 146350651
3-[6-[4-[10-dibenzofuran-3-yl-3-(9-dibenzofuran-3-yl-10-phenylanthracen-2-yl)anthracen-9-yl]phenyl]naphthalen-2-yl]-7-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 175620760
9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;2-[10-[6-(3-naphthalen-2-ylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran;9-[6-(3-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-(4-phenylphenyl)anthracene;1-[5-(10-phenylanthracen-9-yl)naphthalen-2-yl]dibenzofuran
CID 165001898
5-(3-naphthalen-1-yl-10-phenylanthracen-9-yl)-18-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 163772401
2-[10-naphthalen-1-yl-9-(4-phenylphenyl)anthracen-1-yl]dibenzofuran
CID 58323116
2-[4-[4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]phenyl]dibenzofuran
CID 59866524

Frequently Asked Questions

What is the IUPAC name of 3-[9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]chrysen-4-yl]dibenzofuran?
The IUPAC name of 3-[9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]chrysen-4-yl]dibenzofuran (CID 174177940) is 3-[9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]chrysen-4-yl]dibenzofuran.
What is the SMILES notation for 3-[9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]chrysen-4-yl]dibenzofuran?
The canonical SMILES for 3-[9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]chrysen-4-yl]dibenzofuran is c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc6ccc7c(ccc8cccc(-c9ccc%10c(c9)oc9ccccc9%10)c87)c6c5)cc4)c4ccccc34)cc2)cc1.
What is the InChIKey of 3-[9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]chrysen-4-yl]dibenzofuran?
The InChIKey is RAMKAZBITXGSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38O/c1-2-11-39(12-3-1)40-21-26-44(27-22-40)61-52-15-4-6-17-54(52)62(55-18-7-5-16-53(55)61)45-28-23-41(24-29-45)46-30-25-42-31-36-56-49(57(42)37-46)34-32-43-13-10-19-48(60(43)56)47-33-35-51-50-14-8-9-20-58(50)63-59(51)38-47/h1-38H.
What are the key properties of 3-[9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]chrysen-4-yl]dibenzofuran?
3-[9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]chrysen-4-yl]dibenzofuran has a molecular weight of 798.99 g/mol, XLogP of 17.69, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]chrysen-4-yl]dibenzofuran is sourced from PubChem (CID 174177940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).