2-[8-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran-2-yl]-5a,11a-dihydronaphtho[2,3-b][1]benzofuran

C58H36O2 — CID 118503414

IUPAC2-[8-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran-2-yl]-5a,11a-dihydronaphtho[2,3-b][1]benzofuran
SMILESC1=c2ccccc2=CC2c3cc(-c4ccc5oc6ccc(-c7ccc(-c8c9ccccc9c(-c9ccc%10ccccc%10c9)c9ccccc89)cc7)cc6c5c4)ccc3OC12
InChIInChI=1S/C58H36O2/c1-2-10-38-29-44(22-19-35(38)9-1)58-47-15-7-5-13-45(47)57(46-14-6-8-16-48(46)58)37-20-17-36(18-21-37)41-23-26-53-49(31-41)50-32-42(24-27-54(50)59-53)43-25-28-55-51(33-43)52-30-39-11-3-4-12-40(39)34-56(52)60-55/h1-34,52,56H
InChIKeyQEIFJUUIKGYSOJ-UHFFFAOYSA-N
MW764.92 g/mol
LogP13.83
Rot. Bonds4

About 2-[8-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran-2-yl]-5a,11a-dihydronaphtho[2,3-b][1]benzofuran

2-[8-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran-2-yl]-5a,11a-dihydronaphtho[2,3-b][1]benzofuran (PubChem CID 118503414) has the molecular formula C58H36O2 and a molecular weight of 764.92 g/mol. Its IUPAC name is 2-[8-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran-2-yl]-5a,11a-dihydronaphtho[2,3-b][1]benzofuran.

Molecular Properties

Compound Name2-[8-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran-2-yl]-5a,11a-dihydronaphtho[2,3-b][1]benzofuran
PubChem CID118503414
Molecular FormulaC58H36O2
Molecular Weight764.92 g/mol
Exact Mass764.27
IUPAC Name2-[8-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran-2-yl]-5a,11a-dihydronaphtho[2,3-b][1]benzofuran
SMILESC1=c2ccccc2=CC2c3cc(-c4ccc5oc6ccc(-c7ccc(-c8c9ccccc9c(-c9ccc%10ccccc%10c9)c9ccccc89)cc7)cc6c5c4)ccc3OC12
InChIInChI=1S/C58H36O2/c1-2-10-38-29-44(22-19-35(38)9-1)58-47-15-7-5-13-45(47)57(46-14-6-8-16-48(46)58)37-20-17-36(18-21-37)41-23-26-53-49(31-41)50-32-42(24-27-54(50)59-53)43-25-28-55-51(33-43)52-30-39-11-3-4-12-40(39)34-56(52)60-55/h1-34,52,56H
InChIKeyQEIFJUUIKGYSOJ-UHFFFAOYSA-N
XLogP13.83
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.92
LogP ≤ 513.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(5a,11a-dihydronaphtho[2,3-b][1]benzofuran-2-yl)-5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyrimidine
CID 118503419
2-[4-(10-dibenzofuran-3-ylanthracen-9-yl)phenyl]-7-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran
CID 174315687
9-(3-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene;9-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene;2-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 165028790
7-(10-naphthalen-2-ylanthracen-9-yl)-5a,10a-dihydro-[1]benzofuro[3,2-b]quinoline
CID 138661534
2-(10-naphthalen-2-ylanthracen-9-yl)-8-phenanthren-2-yldibenzofuran
CID 58194354
2-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran;2-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran
CID 160681067
7-[4-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 130188835
2-(2-naphthalen-2-yl-10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 118402714
7-naphthalen-2-yl-2-(10-phenylanthracen-9-yl)dibenzofuran;2-(10-phenylanthracen-9-yl)-7-(3-phenylphenyl)dibenzofuran;7-phenyl-2-(10-phenylanthracen-9-yl)dibenzofuran
CID 164972218
2-(10-phenanthren-3-ylanthracen-9-yl)-8-[8-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzothiol-4-yl]-5a,11a-dihydronaphtho[2,3-b][1]benzofuran
CID 135216213
2-phenyl-9-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 146606986
2-[2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]dibenzofuran
CID 174296945

Frequently Asked Questions

What is the IUPAC name of 2-[8-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran-2-yl]-5a,11a-dihydronaphtho[2,3-b][1]benzofuran?
The IUPAC name of 2-[8-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran-2-yl]-5a,11a-dihydronaphtho[2,3-b][1]benzofuran (CID 118503414) is 2-[8-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran-2-yl]-5a,11a-dihydronaphtho[2,3-b][1]benzofuran.
What is the SMILES notation for 2-[8-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran-2-yl]-5a,11a-dihydronaphtho[2,3-b][1]benzofuran?
The canonical SMILES for 2-[8-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran-2-yl]-5a,11a-dihydronaphtho[2,3-b][1]benzofuran is C1=c2ccccc2=CC2c3cc(-c4ccc5oc6ccc(-c7ccc(-c8c9ccccc9c(-c9ccc%10ccccc%10c9)c9ccccc89)cc7)cc6c5c4)ccc3OC12.
What is the InChIKey of 2-[8-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran-2-yl]-5a,11a-dihydronaphtho[2,3-b][1]benzofuran?
The InChIKey is QEIFJUUIKGYSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36O2/c1-2-10-38-29-44(22-19-35(38)9-1)58-47-15-7-5-13-45(47)57(46-14-6-8-16-48(46)58)37-20-17-36(18-21-37)41-23-26-53-49(31-41)50-32-42(24-27-54(50)59-53)43-25-28-55-51(33-43)52-30-39-11-3-4-12-40(39)34-56(52)60-55/h1-34,52,56H.
What are the key properties of 2-[8-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran-2-yl]-5a,11a-dihydronaphtho[2,3-b][1]benzofuran?
2-[8-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran-2-yl]-5a,11a-dihydronaphtho[2,3-b][1]benzofuran has a molecular weight of 764.92 g/mol, XLogP of 13.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran-2-yl]-5a,11a-dihydronaphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 118503414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).