3-(6-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylnaphthalen-2-yl)dibenzofuran

C51H30O — CID 166034341

IUPAC3-(6-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylnaphthalen-2-yl)dibenzofuran
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(-c3ccc4cc(-c5ccc6c(c5)oc5ccccc56)ccc4c3)cc3ccccc3c21
InChIInChI=1S/C51H30O/c1-2-12-37-35(11-1)29-43(49-42-16-5-9-19-46(42)51(50(37)49)44-17-7-3-13-38(44)39-14-4-8-18-45(39)51)36-24-23-31-27-32(21-22-33(31)28-36)34-25-26-41-40-15-6-10-20-47(40)52-48(41)30-34/h1-30H
InChIKeyOROPNWXNJVEYQO-UHFFFAOYSA-N
MW658.80 g/mol
LogP13.57
Rot. Bonds2

About 3-(6-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylnaphthalen-2-yl)dibenzofuran

3-(6-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylnaphthalen-2-yl)dibenzofuran (PubChem CID 166034341) has the molecular formula C51H30O and a molecular weight of 658.80 g/mol. Its IUPAC name is 3-(6-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylnaphthalen-2-yl)dibenzofuran.

Molecular Properties

Compound Name3-(6-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylnaphthalen-2-yl)dibenzofuran
PubChem CID166034341
Molecular FormulaC51H30O
Molecular Weight658.80 g/mol
Exact Mass658.23
IUPAC Name3-(6-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylnaphthalen-2-yl)dibenzofuran
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(-c3ccc4cc(-c5ccc6c(c5)oc5ccccc56)ccc4c3)cc3ccccc3c21
InChIInChI=1S/C51H30O/c1-2-12-37-35(11-1)29-43(49-42-16-5-9-19-46(42)51(50(37)49)44-17-7-3-13-38(44)39-14-4-8-18-45(39)51)36-24-23-31-27-32(21-22-33(31)28-36)34-25-26-41-40-15-6-10-20-47(40)52-48(41)30-34/h1-30H
InChIKeyOROPNWXNJVEYQO-UHFFFAOYSA-N
XLogP13.57
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.80
LogP ≤ 513.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(6-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran
CID 166034566
2-[6-(11,11-diphenylbenzo[a]fluoren-6-yl)naphthalen-2-yl]dibenzofuran
CID 166034517
6-(10-naphthalen-2-ylanthracen-9-yl)spiro[benzo[a]fluorene-11,9'-fluorene]
CID 166034510
2-(10-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene]-7'-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 137493809
3-naphthalen-2-yldibenzofuran
CID 68932481
2-[10-(3-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-ylphenyl)anthracen-9-yl]dibenzofuran
CID 137494278
3-(6-naphthalen-2-ylnaphthalen-2-yl)spiro[benzo[a]fluorene-11,9'-fluorene]
CID 166034437
N-(2,3-dinaphthalen-2-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
CID 177097029
2,4-di(dibenzofuran-3-yl)-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 146649073
2-(10-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylanthracen-9-yl)dibenzofuran
CID 137493892
8-(6-spiro[benzo[a]fluorene-11,9'-fluorene]-3-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran
CID 166034203
3'-dibenzofuran-3-ylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]
CID 153483755

Frequently Asked Questions

What is the IUPAC name of 3-(6-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylnaphthalen-2-yl)dibenzofuran?
The IUPAC name of 3-(6-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylnaphthalen-2-yl)dibenzofuran (CID 166034341) is 3-(6-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylnaphthalen-2-yl)dibenzofuran.
What is the SMILES notation for 3-(6-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylnaphthalen-2-yl)dibenzofuran?
The canonical SMILES for 3-(6-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylnaphthalen-2-yl)dibenzofuran is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(-c3ccc4cc(-c5ccc6c(c5)oc5ccccc56)ccc4c3)cc3ccccc3c21.
What is the InChIKey of 3-(6-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylnaphthalen-2-yl)dibenzofuran?
The InChIKey is OROPNWXNJVEYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30O/c1-2-12-37-35(11-1)29-43(49-42-16-5-9-19-46(42)51(50(37)49)44-17-7-3-13-38(44)39-14-4-8-18-45(39)51)36-24-23-31-27-32(21-22-33(31)28-36)34-25-26-41-40-15-6-10-20-47(40)52-48(41)30-34/h1-30H.
What are the key properties of 3-(6-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylnaphthalen-2-yl)dibenzofuran?
3-(6-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylnaphthalen-2-yl)dibenzofuran has a molecular weight of 658.80 g/mol, XLogP of 13.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylnaphthalen-2-yl)dibenzofuran is sourced from PubChem (CID 166034341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).