2-(2-phenyl-3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-2-ylpropyl)dibenzofuran

C54H36O — CID 142294412

IUPAC2-(2-phenyl-3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-2-ylpropyl)dibenzofuran
SMILESc1ccc(C(Cc2ccc3c(c2)C2(c4ccccc4-3)c3cc4ccccc4cc3-c3c2ccc2ccccc32)Cc2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C54H36O/c1-2-12-36(13-3-1)40(28-34-23-27-52-45(30-34)44-19-9-11-21-51(44)55-52)29-35-22-25-43-42-18-8-10-20-47(42)54(49(43)31-35)48-26-24-37-14-6-7-17-41(37)53(48)46-32-38-15-4-5-16-39(38)33-50(46)54/h1-27,30-33,40H,28-29H2
InChIKeyILVWYILKLQBVEX-UHFFFAOYSA-N
MW700.88 g/mol
LogP13.80
Rot. Bonds5

About 2-(2-phenyl-3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-2-ylpropyl)dibenzofuran

2-(2-phenyl-3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-2-ylpropyl)dibenzofuran (PubChem CID 142294412) has the molecular formula C54H36O and a molecular weight of 700.88 g/mol. Its IUPAC name is 2-(2-phenyl-3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-2-ylpropyl)dibenzofuran.

Molecular Properties

Compound Name2-(2-phenyl-3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-2-ylpropyl)dibenzofuran
PubChem CID142294412
Molecular FormulaC54H36O
Molecular Weight700.88 g/mol
Exact Mass700.28
IUPAC Name2-(2-phenyl-3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-2-ylpropyl)dibenzofuran
SMILESc1ccc(C(Cc2ccc3c(c2)C2(c4ccccc4-3)c3cc4ccccc4cc3-c3c2ccc2ccccc32)Cc2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C54H36O/c1-2-12-36(13-3-1)40(28-34-23-27-52-45(30-34)44-19-9-11-21-51(44)55-52)29-35-22-25-43-42-18-8-10-20-47(42)54(49(43)31-35)48-26-24-37-14-6-7-17-41(37)53(48)46-32-38-15-4-5-16-39(38)33-50(46)54/h1-27,30-33,40H,28-29H2
InChIKeyILVWYILKLQBVEX-UHFFFAOYSA-N
XLogP13.80
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.88
LogP ≤ 513.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(2-phenyl-3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-2-ylpropyl)dibenzofuran with MolForge

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Related Compounds

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
N-phenyl-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-yldibenzofuran-4-amine
CID 140962343
2-[4-[2-(2-phenylphenyl)-2-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-ylethyl]phenyl]dibenzofuran
CID 166877793
2-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]dibenzofuran
CID 164758447
17'-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]
CID 140961837
N-phenyl-N-(4-phenylphenyl)-8-spiro[benzo[g]fluorene-7,9'-fluorene]-9-yldibenzofuran-2-amine
CID 135299719
N-(4-ethylphenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-amine
CID 137494328
CID 146439545
CID 146439545
N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine
CID 164730839
N-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-xanthene]-10-amine
CID 164730958
N-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine
CID 164730810
9'-[(4-naphthalen-1-ylphenyl)-phenylmethyl]spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]
CID 130266587

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenyl-3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-2-ylpropyl)dibenzofuran?
The IUPAC name of 2-(2-phenyl-3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-2-ylpropyl)dibenzofuran (CID 142294412) is 2-(2-phenyl-3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-2-ylpropyl)dibenzofuran.
What is the SMILES notation for 2-(2-phenyl-3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-2-ylpropyl)dibenzofuran?
The canonical SMILES for 2-(2-phenyl-3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-2-ylpropyl)dibenzofuran is c1ccc(C(Cc2ccc3c(c2)C2(c4ccccc4-3)c3cc4ccccc4cc3-c3c2ccc2ccccc32)Cc2ccc3oc4ccccc4c3c2)cc1.
What is the InChIKey of 2-(2-phenyl-3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-2-ylpropyl)dibenzofuran?
The InChIKey is ILVWYILKLQBVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36O/c1-2-12-36(13-3-1)40(28-34-23-27-52-45(30-34)44-19-9-11-21-51(44)55-52)29-35-22-25-43-42-18-8-10-20-47(42)54(49(43)31-35)48-26-24-37-14-6-7-17-41(37)53(48)46-32-38-15-4-5-16-39(38)33-50(46)54/h1-27,30-33,40H,28-29H2.
What are the key properties of 2-(2-phenyl-3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-2-ylpropyl)dibenzofuran?
2-(2-phenyl-3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-2-ylpropyl)dibenzofuran has a molecular weight of 700.88 g/mol, XLogP of 13.80, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenyl-3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-2-ylpropyl)dibenzofuran is sourced from PubChem (CID 142294412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).