8-(6-naphtho[1,2-b][1]benzofuran-8-yl-11,11-diphenylbenzo[a]fluoren-9-yl)naphtho[1,2-b][1]benzofuran

C61H36O2 — CID 166034299

IUPAC8-(6-naphtho[1,2-b][1]benzofuran-8-yl-11,11-diphenylbenzo[a]fluoren-9-yl)naphtho[1,2-b][1]benzofuran
SMILESc1ccc(C2(c3ccccc3)c3cc(-c4ccc5oc6c7ccccc7ccc6c5c4)ccc3-c3c(-c4ccc5oc6c7ccccc7ccc6c5c4)cc4ccccc4c32)cc1
InChIInChI=1S/C61H36O2/c1-3-16-43(17-4-1)61(44-18-5-2-6-19-44)54-36-40(39-26-31-55-52(33-39)48-28-23-37-13-7-11-21-46(37)59(48)62-55)25-30-50(54)57-51(34-41-15-9-10-20-45(41)58(57)61)42-27-32-56-53(35-42)49-29-24-38-14-8-12-22-47(38)60(49)63-56/h1-36H
InChIKeyATMNAZSFJNVFKQ-UHFFFAOYSA-N
MW800.96 g/mol
LogP16.64
Rot. Bonds4

About 8-(6-naphtho[1,2-b][1]benzofuran-8-yl-11,11-diphenylbenzo[a]fluoren-9-yl)naphtho[1,2-b][1]benzofuran

8-(6-naphtho[1,2-b][1]benzofuran-8-yl-11,11-diphenylbenzo[a]fluoren-9-yl)naphtho[1,2-b][1]benzofuran (PubChem CID 166034299) has the molecular formula C61H36O2 and a molecular weight of 800.96 g/mol. Its IUPAC name is 8-(6-naphtho[1,2-b][1]benzofuran-8-yl-11,11-diphenylbenzo[a]fluoren-9-yl)naphtho[1,2-b][1]benzofuran.

Molecular Properties

Compound Name8-(6-naphtho[1,2-b][1]benzofuran-8-yl-11,11-diphenylbenzo[a]fluoren-9-yl)naphtho[1,2-b][1]benzofuran
PubChem CID166034299
Molecular FormulaC61H36O2
Molecular Weight800.96 g/mol
Exact Mass800.27
IUPAC Name8-(6-naphtho[1,2-b][1]benzofuran-8-yl-11,11-diphenylbenzo[a]fluoren-9-yl)naphtho[1,2-b][1]benzofuran
SMILESc1ccc(C2(c3ccccc3)c3cc(-c4ccc5oc6c7ccccc7ccc6c5c4)ccc3-c3c(-c4ccc5oc6c7ccccc7ccc6c5c4)cc4ccccc4c32)cc1
InChIInChI=1S/C61H36O2/c1-3-16-43(17-4-1)61(44-18-5-2-6-19-44)54-36-40(39-26-31-55-52(33-39)48-28-23-37-13-7-11-21-46(37)59(48)62-55)25-30-50(54)57-51(34-41-15-9-10-20-45(41)58(57)61)42-27-32-56-53(35-42)49-29-24-38-14-8-12-22-47(38)60(49)63-56/h1-36H
InChIKeyATMNAZSFJNVFKQ-UHFFFAOYSA-N
XLogP16.64
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500800.96
LogP ≤ 516.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-(6-naphtho[1,2-b][1]benzofuran-8-yl-11,11-diphenylbenzo[a]fluoren-9-yl)naphtho[1,2-b][1]benzofuran with MolForge

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Related Compounds

2-[6-(11,11-diphenylbenzo[a]fluoren-6-yl)naphthalen-2-yl]dibenzofuran
CID 166034517
8-(6-spiro[benzo[a]fluorene-11,9'-fluorene]-3-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran
CID 166034203
8-(4-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran
CID 170374689
8-(10-benzo[g]phenanthren-3-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
CID 170679872
8-pyren-1-ylnaphtho[1,2-b][1]benzofuran
CID 139341196
2-(9,11,11-triphenylbenzo[a]fluoren-2-yl)dibenzofuran
CID 166034498
8-[10-[3-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 90433286
8-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 90433616
8-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
CID 90433778
8-pyren-2-ylnaphtho[1,2-b][1]benzofuran
CID 139341199
2-(6-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran
CID 166034566
8-[4-(18-phenyl-5-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)naphthalen-1-yl]naphtho[1,2-b][1]benzofuran
CID 138664837

Frequently Asked Questions

What is the IUPAC name of 8-(6-naphtho[1,2-b][1]benzofuran-8-yl-11,11-diphenylbenzo[a]fluoren-9-yl)naphtho[1,2-b][1]benzofuran?
The IUPAC name of 8-(6-naphtho[1,2-b][1]benzofuran-8-yl-11,11-diphenylbenzo[a]fluoren-9-yl)naphtho[1,2-b][1]benzofuran (CID 166034299) is 8-(6-naphtho[1,2-b][1]benzofuran-8-yl-11,11-diphenylbenzo[a]fluoren-9-yl)naphtho[1,2-b][1]benzofuran.
What is the SMILES notation for 8-(6-naphtho[1,2-b][1]benzofuran-8-yl-11,11-diphenylbenzo[a]fluoren-9-yl)naphtho[1,2-b][1]benzofuran?
The canonical SMILES for 8-(6-naphtho[1,2-b][1]benzofuran-8-yl-11,11-diphenylbenzo[a]fluoren-9-yl)naphtho[1,2-b][1]benzofuran is c1ccc(C2(c3ccccc3)c3cc(-c4ccc5oc6c7ccccc7ccc6c5c4)ccc3-c3c(-c4ccc5oc6c7ccccc7ccc6c5c4)cc4ccccc4c32)cc1.
What is the InChIKey of 8-(6-naphtho[1,2-b][1]benzofuran-8-yl-11,11-diphenylbenzo[a]fluoren-9-yl)naphtho[1,2-b][1]benzofuran?
The InChIKey is ATMNAZSFJNVFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H36O2/c1-3-16-43(17-4-1)61(44-18-5-2-6-19-44)54-36-40(39-26-31-55-52(33-39)48-28-23-37-13-7-11-21-46(37)59(48)62-55)25-30-50(54)57-51(34-41-15-9-10-20-45(41)58(57)61)42-27-32-56-53(35-42)49-29-24-38-14-8-12-22-47(38)60(49)63-56/h1-36H.
What are the key properties of 8-(6-naphtho[1,2-b][1]benzofuran-8-yl-11,11-diphenylbenzo[a]fluoren-9-yl)naphtho[1,2-b][1]benzofuran?
8-(6-naphtho[1,2-b][1]benzofuran-8-yl-11,11-diphenylbenzo[a]fluoren-9-yl)naphtho[1,2-b][1]benzofuran has a molecular weight of 800.96 g/mol, XLogP of 16.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-naphtho[1,2-b][1]benzofuran-8-yl-11,11-diphenylbenzo[a]fluoren-9-yl)naphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 166034299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).