9-(9-phenylspiro[benzo[a]fluorene-11,9'-fluorene]-2-yl)naphtho[1,2-b][1]benzofuran

C51H30O — CID 166034505

IUPAC9-(9-phenylspiro[benzo[a]fluorene-11,9'-fluorene]-2-yl)naphtho[1,2-b][1]benzofuran
SMILESc1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2c-3ccc3ccc(-c4ccc5c(c4)oc4c6ccccc6ccc54)cc23)cc1
InChIInChI=1S/C51H30O/c1-2-10-31(11-3-1)35-22-24-40-42-26-20-33-18-19-34(36-23-25-41-43-27-21-32-12-4-5-13-37(32)50(43)52-48(41)30-36)28-44(33)49(42)51(47(40)29-35)45-16-8-6-14-38(45)39-15-7-9-17-46(39)51/h1-30H
InChIKeyPCIPUIWGPJESJM-UHFFFAOYSA-N
MW658.80 g/mol
LogP13.57
Rot. Bonds2

About 9-(9-phenylspiro[benzo[a]fluorene-11,9'-fluorene]-2-yl)naphtho[1,2-b][1]benzofuran

9-(9-phenylspiro[benzo[a]fluorene-11,9'-fluorene]-2-yl)naphtho[1,2-b][1]benzofuran (PubChem CID 166034505) has the molecular formula C51H30O and a molecular weight of 658.80 g/mol. Its IUPAC name is 9-(9-phenylspiro[benzo[a]fluorene-11,9'-fluorene]-2-yl)naphtho[1,2-b][1]benzofuran.

Molecular Properties

Compound Name9-(9-phenylspiro[benzo[a]fluorene-11,9'-fluorene]-2-yl)naphtho[1,2-b][1]benzofuran
PubChem CID166034505
Molecular FormulaC51H30O
Molecular Weight658.80 g/mol
Exact Mass658.23
IUPAC Name9-(9-phenylspiro[benzo[a]fluorene-11,9'-fluorene]-2-yl)naphtho[1,2-b][1]benzofuran
SMILESc1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2c-3ccc3ccc(-c4ccc5c(c4)oc4c6ccccc6ccc54)cc23)cc1
InChIInChI=1S/C51H30O/c1-2-10-31(11-3-1)35-22-24-40-42-26-20-33-18-19-34(36-23-25-41-43-27-21-32-12-4-5-13-37(32)50(43)52-48(41)30-36)28-44(33)49(42)51(47(40)29-35)45-16-8-6-14-38(45)39-15-7-9-17-46(39)51/h1-30H
InChIKeyPCIPUIWGPJESJM-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

8-(6-spiro[benzo[a]fluorene-11,9'-fluorene]-3-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran
CID 166034203
2'-(4-bromophenyl)spiro[benzo[a]fluorene-11,9'-fluorene]
CID 134216060
2,4-diphenyl-6-[6-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 166952589
2-(9,11,11-triphenylbenzo[a]fluoren-2-yl)dibenzofuran
CID 166034498
2-dibenzofuran-4-yl-4-phenyl-6-(4-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-ylphenyl)-1,3,5-triazine
CID 155278995
4-dibenzofuran-3-yl-6-(3-phenylphenyl)-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine
CID 149321962
3-(9,11,11-triphenylbenzo[a]fluoren-3-yl)naphtho[2,3-b][1]benzofuran
CID 166034226
4-dibenzofuran-3-yl-2-(3-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine
CID 147777919
8-[10-[3-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 90433286
2,4-diphenyl-6-[7-(11-phenylbenzo[a]fluoren-11-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 162487428
N-phenanthren-3-yl-2-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 168805359
4-[4-[3-(9,9'-spirobi[fluorene]-2-yl)phenanthren-9-yl]phenyl]dibenzofuran
CID 87688527

Frequently Asked Questions

What is the IUPAC name of 9-(9-phenylspiro[benzo[a]fluorene-11,9'-fluorene]-2-yl)naphtho[1,2-b][1]benzofuran?
The IUPAC name of 9-(9-phenylspiro[benzo[a]fluorene-11,9'-fluorene]-2-yl)naphtho[1,2-b][1]benzofuran (CID 166034505) is 9-(9-phenylspiro[benzo[a]fluorene-11,9'-fluorene]-2-yl)naphtho[1,2-b][1]benzofuran.
What is the SMILES notation for 9-(9-phenylspiro[benzo[a]fluorene-11,9'-fluorene]-2-yl)naphtho[1,2-b][1]benzofuran?
The canonical SMILES for 9-(9-phenylspiro[benzo[a]fluorene-11,9'-fluorene]-2-yl)naphtho[1,2-b][1]benzofuran is c1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2c-3ccc3ccc(-c4ccc5c(c4)oc4c6ccccc6ccc54)cc23)cc1.
What is the InChIKey of 9-(9-phenylspiro[benzo[a]fluorene-11,9'-fluorene]-2-yl)naphtho[1,2-b][1]benzofuran?
The InChIKey is PCIPUIWGPJESJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30O/c1-2-10-31(11-3-1)35-22-24-40-42-26-20-33-18-19-34(36-23-25-41-43-27-21-32-12-4-5-13-37(32)50(43)52-48(41)30-36)28-44(33)49(42)51(47(40)29-35)45-16-8-6-14-38(45)39-15-7-9-17-46(39)51/h1-30H.
What are the key properties of 9-(9-phenylspiro[benzo[a]fluorene-11,9'-fluorene]-2-yl)naphtho[1,2-b][1]benzofuran?
9-(9-phenylspiro[benzo[a]fluorene-11,9'-fluorene]-2-yl)naphtho[1,2-b][1]benzofuran 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 9-(9-phenylspiro[benzo[a]fluorene-11,9'-fluorene]-2-yl)naphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 166034505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).