3-[3-(7',7'-dimethylspiro[adamantane-2,12'-indeno[2,1-g]fluorene]-9'-yl)-5-phenylphenyl]dibenzofuran

C55H44O — CID 168834537

IUPAC3-[3-(7',7'-dimethylspiro[adamantane-2,12'-indeno[2,1-g]fluorene]-9'-yl)-5-phenylphenyl]dibenzofuran
SMILESCC1(C)c2cc(-c3cc(-c4ccccc4)cc(-c4ccc5c(c4)oc4ccccc45)c3)ccc2-c2c1ccc1c2C2(c3ccccc3-1)C1CC3CC(C1)CC2C3
InChIInChI=1S/C55H44O/c1-54(2)48-21-20-45-42-12-6-8-14-47(42)55(40-23-32-22-33(25-40)26-41(55)24-32)53(45)52(48)46-19-17-35(30-49(46)54)38-27-37(34-10-4-3-5-11-34)28-39(29-38)36-16-18-44-43-13-7-9-15-50(43)56-51(44)31-36/h3-21,27-33,40-41H,22-26H2,1-2H3
InChIKeyGIFKGUHUPLCYFZ-UHFFFAOYSA-N
MW720.96 g/mol
LogP14.62
Rot. Bonds3

About 3-[3-(7',7'-dimethylspiro[adamantane-2,12'-indeno[2,1-g]fluorene]-9'-yl)-5-phenylphenyl]dibenzofuran

3-[3-(7',7'-dimethylspiro[adamantane-2,12'-indeno[2,1-g]fluorene]-9'-yl)-5-phenylphenyl]dibenzofuran (PubChem CID 168834537) has the molecular formula C55H44O and a molecular weight of 720.96 g/mol. Its IUPAC name is 3-[3-(7',7'-dimethylspiro[adamantane-2,12'-indeno[2,1-g]fluorene]-9'-yl)-5-phenylphenyl]dibenzofuran.

Molecular Properties

Compound Name3-[3-(7',7'-dimethylspiro[adamantane-2,12'-indeno[2,1-g]fluorene]-9'-yl)-5-phenylphenyl]dibenzofuran
PubChem CID168834537
Molecular FormulaC55H44O
Molecular Weight720.96 g/mol
Exact Mass720.34
IUPAC Name3-[3-(7',7'-dimethylspiro[adamantane-2,12'-indeno[2,1-g]fluorene]-9'-yl)-5-phenylphenyl]dibenzofuran
SMILESCC1(C)c2cc(-c3cc(-c4ccccc4)cc(-c4ccc5c(c4)oc4ccccc45)c3)ccc2-c2c1ccc1c2C2(c3ccccc3-1)C1CC3CC(C1)CC2C3
InChIInChI=1S/C55H44O/c1-54(2)48-21-20-45-42-12-6-8-14-47(42)55(40-23-32-22-33(25-40)26-41(55)24-32)53(45)52(48)46-19-17-35(30-49(46)54)38-27-37(34-10-4-3-5-11-34)28-39(29-38)36-16-18-44-43-13-7-9-15-50(43)56-51(44)31-36/h3-21,27-33,40-41H,22-26H2,1-2H3
InChIKeyGIFKGUHUPLCYFZ-UHFFFAOYSA-N
XLogP14.62
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.96
LogP ≤ 514.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-bis(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylaniline;9,9-dimethyl-N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-2-amine;N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzofuran-3-amine
CID 162212897
N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-1'-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-1'-amine
CID 163954974
2-dibenzofuran-3-yl-4-[6-(10',10'-dimethylspiro[adamantane-2,9'-anthracene]-2'-yl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine
CID 166017952
2-(7'-dibenzofuran-3-ylspiro[adamantane-2,9'-fluorene]-2'-yl)-4,6-diphenyl-1,3,5-triazine
CID 168803617
spiro[adamantane-2,12'-fluoreno[1,2-b][1]benzofuran]
CID 168834609
6-[3-(9,9,14,14-tetramethyl-6-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaenyl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 142487678
2-(4-dibenzofuran-3-ylphenyl)-4-[3-(5',5'-dimethylspiro[adamantane-2,12'-fluoreno[2,1-b][1]benzosilole]-7'-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 168834665
3-[10-(9,9,14,14-tetramethyl-6-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaenyl)anthracen-9-yl]dibenzofuran
CID 122426220
2-dibenzofuran-3-yl-4,6-diphenylpyrimidine;2-[3-[3-(2-dibenzofuran-3-yl-6-phenylpyrimidin-4-yl)phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-(2-dibenzofuran-3-yl-6-phenylpyrimidin-4-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(2-dibenzofuran-3-yl-6-phenylpyrimidin-4-yl)phenyl]phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;2-[3-[3-(2-dibenzofuran-3-yl-6-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-(2-dibenzofuran-3-yl-6-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-dimethylfluoren-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 158848714
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl-1,3,5-triazine
CID 167353637
N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 168771541
N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylphenyl)dibenzofuran-3-amine
CID 155402354

Frequently Asked Questions

What is the IUPAC name of 3-[3-(7',7'-dimethylspiro[adamantane-2,12'-indeno[2,1-g]fluorene]-9'-yl)-5-phenylphenyl]dibenzofuran?
The IUPAC name of 3-[3-(7',7'-dimethylspiro[adamantane-2,12'-indeno[2,1-g]fluorene]-9'-yl)-5-phenylphenyl]dibenzofuran (CID 168834537) is 3-[3-(7',7'-dimethylspiro[adamantane-2,12'-indeno[2,1-g]fluorene]-9'-yl)-5-phenylphenyl]dibenzofuran.
What is the SMILES notation for 3-[3-(7',7'-dimethylspiro[adamantane-2,12'-indeno[2,1-g]fluorene]-9'-yl)-5-phenylphenyl]dibenzofuran?
The canonical SMILES for 3-[3-(7',7'-dimethylspiro[adamantane-2,12'-indeno[2,1-g]fluorene]-9'-yl)-5-phenylphenyl]dibenzofuran is CC1(C)c2cc(-c3cc(-c4ccccc4)cc(-c4ccc5c(c4)oc4ccccc45)c3)ccc2-c2c1ccc1c2C2(c3ccccc3-1)C1CC3CC(C1)CC2C3.
What is the InChIKey of 3-[3-(7',7'-dimethylspiro[adamantane-2,12'-indeno[2,1-g]fluorene]-9'-yl)-5-phenylphenyl]dibenzofuran?
The InChIKey is GIFKGUHUPLCYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H44O/c1-54(2)48-21-20-45-42-12-6-8-14-47(42)55(40-23-32-22-33(25-40)26-41(55)24-32)53(45)52(48)46-19-17-35(30-49(46)54)38-27-37(34-10-4-3-5-11-34)28-39(29-38)36-16-18-44-43-13-7-9-15-50(43)56-51(44)31-36/h3-21,27-33,40-41H,22-26H2,1-2H3.
What are the key properties of 3-[3-(7',7'-dimethylspiro[adamantane-2,12'-indeno[2,1-g]fluorene]-9'-yl)-5-phenylphenyl]dibenzofuran?
3-[3-(7',7'-dimethylspiro[adamantane-2,12'-indeno[2,1-g]fluorene]-9'-yl)-5-phenylphenyl]dibenzofuran has a molecular weight of 720.96 g/mol, XLogP of 14.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(7',7'-dimethylspiro[adamantane-2,12'-indeno[2,1-g]fluorene]-9'-yl)-5-phenylphenyl]dibenzofuran is sourced from PubChem (CID 168834537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).