3-(9,11,11-triphenylbenzo[a]fluoren-3-yl)naphtho[2,3-b][1]benzofuran

C51H32O — CID 166034226

IUPAC3-(9,11,11-triphenylbenzo[a]fluoren-3-yl)naphtho[2,3-b][1]benzofuran
SMILESc1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2c-3ccc3cc(-c4ccc5c(c4)oc4cc6ccccc6cc45)ccc23)cc1
InChIInChI=1S/C51H32O/c1-4-12-33(13-5-1)37-21-25-43-45-27-23-39-28-36(38-22-26-44-46-29-34-14-10-11-15-35(34)31-49(46)52-48(44)32-38)20-24-42(39)50(45)51(47(43)30-37,40-16-6-2-7-17-40)41-18-8-3-9-19-41/h1-32H
InChIKeyMPZNSRYVNKGNJE-UHFFFAOYSA-N
MW660.82 g/mol
LogP13.59
Rot. Bonds4

About 3-(9,11,11-triphenylbenzo[a]fluoren-3-yl)naphtho[2,3-b][1]benzofuran

3-(9,11,11-triphenylbenzo[a]fluoren-3-yl)naphtho[2,3-b][1]benzofuran (PubChem CID 166034226) has the molecular formula C51H32O and a molecular weight of 660.82 g/mol. Its IUPAC name is 3-(9,11,11-triphenylbenzo[a]fluoren-3-yl)naphtho[2,3-b][1]benzofuran.

Molecular Properties

Compound Name3-(9,11,11-triphenylbenzo[a]fluoren-3-yl)naphtho[2,3-b][1]benzofuran
PubChem CID166034226
Molecular FormulaC51H32O
Molecular Weight660.82 g/mol
Exact Mass660.25
IUPAC Name3-(9,11,11-triphenylbenzo[a]fluoren-3-yl)naphtho[2,3-b][1]benzofuran
SMILESc1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2c-3ccc3cc(-c4ccc5c(c4)oc4cc6ccccc6cc45)ccc23)cc1
InChIInChI=1S/C51H32O/c1-4-12-33(13-5-1)37-21-25-43-45-27-23-39-28-36(38-22-26-44-46-29-34-14-10-11-15-35(34)31-49(46)52-48(44)32-38)20-24-42(39)50(45)51(47(43)30-37,40-16-6-2-7-17-40)41-18-8-3-9-19-41/h1-32H
InChIKeyMPZNSRYVNKGNJE-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-(9,11,11-triphenylbenzo[a]fluoren-2-yl)dibenzofuran
CID 166034498
3-(3,5-dinaphthalen-2-ylphenyl)-11,11-diphenylbenzo[a]fluorene
CID 166034195
2,4-diphenyl-6-[7-(11-phenylbenzo[a]fluoren-11-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 162487428
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
9-(9-phenylspiro[benzo[a]fluorene-11,9'-fluorene]-2-yl)naphtho[1,2-b][1]benzofuran
CID 166034505
2-[8-(9,9-diphenylfluoren-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 147385970
9-(11,11-diphenylbenzo[a]fluoren-9-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;2-phenyl-9-spiro[benzo[a]fluorene-11,9'-fluorene]-9-ylnaphtho[2,1-g][1,3]benzoxazole;2-phenyl-9-spiro[benzo[b]fluorene-11,9'-fluorene]-2-ylnaphtho[2,1-g][1,3]benzoxazole
CID 163997775
N-(9,9-diphenylfluoren-2-yl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 166565747
2-[4-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-1-yl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 155465924
2-[2-[3-(11,11-diphenylbenzo[a]fluoren-3-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-(11,11-diphenylbenzo[a]fluoren-3-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 158922421
2-[3-(1,3-benzoxazol-2-yl)-5-[3-(11,11-diphenylbenzo[a]fluoren-9-yl)phenyl]phenyl]-1,3-benzoxazole
CID 164803928
2-[4-[3-[4-(1,3-benzoxazol-2-yl)phenyl]-5-(11,11-diphenylbenzo[a]fluoren-9-yl)phenyl]phenyl]-1,3-benzoxazole
CID 164803969

Frequently Asked Questions

What is the IUPAC name of 3-(9,11,11-triphenylbenzo[a]fluoren-3-yl)naphtho[2,3-b][1]benzofuran?
The IUPAC name of 3-(9,11,11-triphenylbenzo[a]fluoren-3-yl)naphtho[2,3-b][1]benzofuran (CID 166034226) is 3-(9,11,11-triphenylbenzo[a]fluoren-3-yl)naphtho[2,3-b][1]benzofuran.
What is the SMILES notation for 3-(9,11,11-triphenylbenzo[a]fluoren-3-yl)naphtho[2,3-b][1]benzofuran?
The canonical SMILES for 3-(9,11,11-triphenylbenzo[a]fluoren-3-yl)naphtho[2,3-b][1]benzofuran is c1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2c-3ccc3cc(-c4ccc5c(c4)oc4cc6ccccc6cc45)ccc23)cc1.
What is the InChIKey of 3-(9,11,11-triphenylbenzo[a]fluoren-3-yl)naphtho[2,3-b][1]benzofuran?
The InChIKey is MPZNSRYVNKGNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32O/c1-4-12-33(13-5-1)37-21-25-43-45-27-23-39-28-36(38-22-26-44-46-29-34-14-10-11-15-35(34)31-49(46)52-48(44)32-38)20-24-42(39)50(45)51(47(43)30-37,40-16-6-2-7-17-40)41-18-8-3-9-19-41/h1-32H.
What are the key properties of 3-(9,11,11-triphenylbenzo[a]fluoren-3-yl)naphtho[2,3-b][1]benzofuran?
3-(9,11,11-triphenylbenzo[a]fluoren-3-yl)naphtho[2,3-b][1]benzofuran 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 3-(9,11,11-triphenylbenzo[a]fluoren-3-yl)naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 166034226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).