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

C37H21ClO — CID 130379579

IUPAC1-(4-chlorophenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]
SMILESClc1ccc(-c2cccc3c2C2(c4ccccc4-3)c3ccccc3-c3c2ccc2c3oc3ccccc32)cc1
InChIInChI=1S/C37H21ClO/c38-23-18-16-22(17-19-23)24-11-7-12-27-25-8-1-4-13-30(25)37(35(24)27)31-14-5-2-10-29(31)34-32(37)21-20-28-26-9-3-6-15-33(26)39-36(28)34/h1-21H
InChIKeyPRMCCCKGBVNYTI-UHFFFAOYSA-N
MW517.03 g/mol
LogP10.25
Rot. Bonds1

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

1-(4-chlorophenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran] (PubChem CID 130379579) has the molecular formula C37H21ClO and a molecular weight of 517.03 g/mol. Its IUPAC name is 1-(4-chlorophenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran].

Molecular Properties

Compound Name1-(4-chlorophenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]
PubChem CID130379579
Molecular FormulaC37H21ClO
Molecular Weight517.03 g/mol
Exact Mass516.13
IUPAC Name1-(4-chlorophenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]
SMILESClc1ccc(-c2cccc3c2C2(c4ccccc4-3)c3ccccc3-c3c2ccc2c3oc3ccccc32)cc1
InChIInChI=1S/C37H21ClO/c38-23-18-16-22(17-19-23)24-11-7-12-27-25-8-1-4-13-30(25)37(35(24)27)31-14-5-2-10-29(31)34-32(37)21-20-28-26-9-3-6-15-33(26)39-36(28)34/h1-21H
InChIKeyPRMCCCKGBVNYTI-UHFFFAOYSA-N
XLogP10.25
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.03
LogP ≤ 510.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-phenyl-2-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-1-ylphenyl)benzimidazole
CID 122627128
2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-1-ylpyrimidine
CID 122627082
1-(3,3,4,4-tetramethylborolan-1-yl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]
CID 140747614
N-(9,9'-spirobi[fluorene]-4-yl)-N-tetraphenylen-1-ylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-amine
CID 134524868
9'-[(4-naphthalen-1-ylphenyl)-phenylmethyl]spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]
CID 130266587
2-cyclohexa-1,3-dien-5-yn-1-yl-4-phenyl-6-(3-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-1-ylphenyl)-1,3,5-triazine
CID 123402236
4-[8-dibenzofuran-4-yl-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]dibenzofuran
CID 155333956
1-ethyl-2-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-ylphenyl)benzimidazole
CID 122627125
2,4-di(dibenzofuran-3-yl)-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 146649073
methane;1-phenyl-2-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-1-ylphenyl)benzimidazole;1-phenyl-2-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-ylphenyl)benzimidazole;2-phenyl-1-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-3'-ylphenyl)benzimidazole
CID 159315421
N,N-bis[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-2-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-1-ylaniline
CID 154972808
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

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]?
The IUPAC name of 1-(4-chlorophenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran] (CID 130379579) is 1-(4-chlorophenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran].
What is the SMILES notation for 1-(4-chlorophenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]?
The canonical SMILES for 1-(4-chlorophenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran] is Clc1ccc(-c2cccc3c2C2(c4ccccc4-3)c3ccccc3-c3c2ccc2c3oc3ccccc32)cc1.
What is the InChIKey of 1-(4-chlorophenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]?
The InChIKey is PRMCCCKGBVNYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H21ClO/c38-23-18-16-22(17-19-23)24-11-7-12-27-25-8-1-4-13-30(25)37(35(24)27)31-14-5-2-10-29(31)34-32(37)21-20-28-26-9-3-6-15-33(26)39-36(28)34/h1-21H.
What are the key properties of 1-(4-chlorophenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]?
1-(4-chlorophenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran] has a molecular weight of 517.03 g/mol, XLogP of 10.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran] is sourced from PubChem (CID 130379579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).