2-[6-(11,11-diphenylbenzo[a]fluoren-6-yl)naphthalen-2-yl]dibenzofuran

C51H32O — CID 166034517

IUPAC2-[6-(11,11-diphenylbenzo[a]fluoren-6-yl)naphthalen-2-yl]dibenzofuran
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4ccc5cc(-c6ccc7oc8ccccc8c7c6)ccc5c4)cc4ccccc4c32)cc1
InChIInChI=1S/C51H32O/c1-3-14-39(15-4-1)51(40-16-5-2-6-17-40)46-21-11-9-20-43(46)49-44(32-37-13-7-8-18-41(37)50(49)51)38-26-25-33-29-34(23-24-35(33)30-38)36-27-28-48-45(31-36)42-19-10-12-22-47(42)52-48/h1-32H
InChIKeyITAYKYXVRNUQIJ-UHFFFAOYSA-N
MW660.82 g/mol
LogP13.59
Rot. Bonds4

About 2-[6-(11,11-diphenylbenzo[a]fluoren-6-yl)naphthalen-2-yl]dibenzofuran

2-[6-(11,11-diphenylbenzo[a]fluoren-6-yl)naphthalen-2-yl]dibenzofuran (PubChem CID 166034517) has the molecular formula C51H32O and a molecular weight of 660.82 g/mol. Its IUPAC name is 2-[6-(11,11-diphenylbenzo[a]fluoren-6-yl)naphthalen-2-yl]dibenzofuran.

Molecular Properties

Compound Name2-[6-(11,11-diphenylbenzo[a]fluoren-6-yl)naphthalen-2-yl]dibenzofuran
PubChem CID166034517
Molecular FormulaC51H32O
Molecular Weight660.82 g/mol
Exact Mass660.25
IUPAC Name2-[6-(11,11-diphenylbenzo[a]fluoren-6-yl)naphthalen-2-yl]dibenzofuran
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4ccc5cc(-c6ccc7oc8ccccc8c7c6)ccc5c4)cc4ccccc4c32)cc1
InChIInChI=1S/C51H32O/c1-3-14-39(15-4-1)51(40-16-5-2-6-17-40)46-21-11-9-20-43(46)49-44(32-37-13-7-8-18-41(37)50(49)51)38-26-25-33-29-34(23-24-35(33)30-38)36-27-28-48-45(31-36)42-19-10-12-22-47(42)52-48/h1-32H
InChIKeyITAYKYXVRNUQIJ-UHFFFAOYSA-N
XLogP13.59
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.82
LogP ≤ 513.59
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
3-(6-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylnaphthalen-2-yl)dibenzofuran
CID 166034341
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
6-(7-naphthalen-2-ylpyren-2-yl)-11,11-diphenylbenzo[a]fluorene
CID 158356048
2-[8-dibenzofuran-2-yl-10-(9,9-diphenylfluoren-1-yl)anthracen-1-yl]dibenzofuran
CID 155333779
4-(3-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine
CID 171603263
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
2-[3-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 165152200
2-[6-(6-phenanthren-9-ylnaphthalen-2-yl)naphthalen-2-yl]dibenzofuran
CID 58569083
4-(4-dibenzofuran-2-yl-9-phenylfluoren-9-yl)pyridine
CID 135173145
N-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-2-yl]-N-phenyldibenzofuran-2-amine
CID 170412879
N-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-2-yl]-N-(3-phenylphenyl)dibenzofuran-2-amine
CID 170413017

Frequently Asked Questions

What is the IUPAC name of 2-[6-(11,11-diphenylbenzo[a]fluoren-6-yl)naphthalen-2-yl]dibenzofuran?
The IUPAC name of 2-[6-(11,11-diphenylbenzo[a]fluoren-6-yl)naphthalen-2-yl]dibenzofuran (CID 166034517) is 2-[6-(11,11-diphenylbenzo[a]fluoren-6-yl)naphthalen-2-yl]dibenzofuran.
What is the SMILES notation for 2-[6-(11,11-diphenylbenzo[a]fluoren-6-yl)naphthalen-2-yl]dibenzofuran?
The canonical SMILES for 2-[6-(11,11-diphenylbenzo[a]fluoren-6-yl)naphthalen-2-yl]dibenzofuran is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4ccc5cc(-c6ccc7oc8ccccc8c7c6)ccc5c4)cc4ccccc4c32)cc1.
What is the InChIKey of 2-[6-(11,11-diphenylbenzo[a]fluoren-6-yl)naphthalen-2-yl]dibenzofuran?
The InChIKey is ITAYKYXVRNUQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32O/c1-3-14-39(15-4-1)51(40-16-5-2-6-17-40)46-21-11-9-20-43(46)49-44(32-37-13-7-8-18-41(37)50(49)51)38-26-25-33-29-34(23-24-35(33)30-38)36-27-28-48-45(31-36)42-19-10-12-22-47(42)52-48/h1-32H.
What are the key properties of 2-[6-(11,11-diphenylbenzo[a]fluoren-6-yl)naphthalen-2-yl]dibenzofuran?
2-[6-(11,11-diphenylbenzo[a]fluoren-6-yl)naphthalen-2-yl]dibenzofuran has a molecular weight of 660.82 g/mol, XLogP of 13.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(11,11-diphenylbenzo[a]fluoren-6-yl)naphthalen-2-yl]dibenzofuran is sourced from PubChem (CID 166034517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).