9'-[(4-naphthalen-1-ylphenyl)-phenylmethyl]spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]

C54H34O — CID 130266587

IUPAC9'-[(4-naphthalen-1-ylphenyl)-phenylmethyl]spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]
SMILESc1ccc(C(c2ccc(-c3cccc4ccccc34)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccc4c(oc5ccccc54)c2-3)cc1
InChIInChI=1S/C54H34O/c1-2-14-36(15-3-1)51(37-27-25-35(26-28-37)40-21-12-16-34-13-4-5-17-39(34)40)38-29-30-45-49(33-38)54(46-22-9-6-18-41(46)42-19-7-10-23-47(42)54)48-32-31-44-43-20-8-11-24-50(43)55-53(44)52(45)48/h1-33,51H
InChIKeyYRDWYHHUGXVQRO-UHFFFAOYSA-N
MW698.87 g/mol
LogP13.93
Rot. Bonds4

About 9'-[(4-naphthalen-1-ylphenyl)-phenylmethyl]spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]

9'-[(4-naphthalen-1-ylphenyl)-phenylmethyl]spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran] (PubChem CID 130266587) has the molecular formula C54H34O and a molecular weight of 698.87 g/mol. Its IUPAC name is 9'-[(4-naphthalen-1-ylphenyl)-phenylmethyl]spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran].

Molecular Properties

Compound Name9'-[(4-naphthalen-1-ylphenyl)-phenylmethyl]spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]
PubChem CID130266587
Molecular FormulaC54H34O
Molecular Weight698.87 g/mol
Exact Mass698.26
IUPAC Name9'-[(4-naphthalen-1-ylphenyl)-phenylmethyl]spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]
SMILESc1ccc(C(c2ccc(-c3cccc4ccccc34)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccc4c(oc5ccccc54)c2-3)cc1
InChIInChI=1S/C54H34O/c1-2-14-36(15-3-1)51(37-27-25-35(26-28-37)40-21-12-16-34-13-4-5-17-39(34)40)38-29-30-45-49(33-38)54(46-22-9-6-18-41(46)42-19-7-10-23-47(42)54)48-32-31-44-43-20-8-11-24-50(43)55-53(44)52(45)48/h1-33,51H
InChIKeyYRDWYHHUGXVQRO-UHFFFAOYSA-N
XLogP13.93
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.87
LogP ≤ 513.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

3-[9,9-dimethyl-7-[(4-naphthalen-1-ylphenyl)-[4-(4-phenylphenyl)phenyl]methyl]fluoren-2-yl]dibenzofuran
CID 59136756
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 170421476
4-[4-[1-(4-naphthalen-1-ylphenyl)-2-(9,9'-spirobi[fluorene]-1'-yl)ethyl]phenyl]dibenzofuran
CID 166825044
N,N-bis(3-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine;N-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine;N-phenyl-N-(3-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine
CID 161119301
N-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine
CID 172544842
4-[(9,9-diphenylfluoren-2-yl)-[4-(9-phenylfluoren-9-yl)phenyl]methyl]dibenzofuran
CID 158401172
2-spiro[4,25-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,26-dodecaene-15,9'-fluorene]-2'-ylquinoline
CID 129264602
1-(4-chlorophenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]
CID 130379579
2-[9,9-dimethyl-7-[(4-naphthalen-1-ylphenyl)-[4-(3-phenylphenyl)phenyl]methyl]fluoren-2-yl]dibenzofuran
CID 59136781
3-[4-[4-[(4-naphthalen-1-ylphenyl)-[4-(3-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran
CID 59136900
2-[9'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[3'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[3'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-fluoreno[5,6-b][1]benzofuran]-9'-yl]-4,6-diphenyl-1,3,5-triazine;methane
CID 162212925
N-(9,9'-spirobi[fluorene]-4-yl)-N-tetraphenylen-1-ylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-amine
CID 134524868

Frequently Asked Questions

What is the IUPAC name of 9'-[(4-naphthalen-1-ylphenyl)-phenylmethyl]spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]?
The IUPAC name of 9'-[(4-naphthalen-1-ylphenyl)-phenylmethyl]spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran] (CID 130266587) is 9'-[(4-naphthalen-1-ylphenyl)-phenylmethyl]spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran].
What is the SMILES notation for 9'-[(4-naphthalen-1-ylphenyl)-phenylmethyl]spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]?
The canonical SMILES for 9'-[(4-naphthalen-1-ylphenyl)-phenylmethyl]spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran] is c1ccc(C(c2ccc(-c3cccc4ccccc34)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccc4c(oc5ccccc54)c2-3)cc1.
What is the InChIKey of 9'-[(4-naphthalen-1-ylphenyl)-phenylmethyl]spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]?
The InChIKey is YRDWYHHUGXVQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34O/c1-2-14-36(15-3-1)51(37-27-25-35(26-28-37)40-21-12-16-34-13-4-5-17-39(34)40)38-29-30-45-49(33-38)54(46-22-9-6-18-41(46)42-19-7-10-23-47(42)54)48-32-31-44-43-20-8-11-24-50(43)55-53(44)52(45)48/h1-33,51H.
What are the key properties of 9'-[(4-naphthalen-1-ylphenyl)-phenylmethyl]spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]?
9'-[(4-naphthalen-1-ylphenyl)-phenylmethyl]spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran] has a molecular weight of 698.87 g/mol, XLogP of 13.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9'-[(4-naphthalen-1-ylphenyl)-phenylmethyl]spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran] is sourced from PubChem (CID 130266587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).