1-methyl-8-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran

C44H28O — CID 156734737

IUPAC1-methyl-8-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran
SMILESCc1cccc2oc3ccc(-c4ccc(-c5ccc6c(c5)-c5ccccc5C65c6ccccc6-c6ccccc65)cc4)cc3c12
InChIInChI=1S/C44H28O/c1-27-9-8-16-42-43(27)36-26-31(22-24-41(36)45-42)29-19-17-28(18-20-29)30-21-23-40-35(25-30)34-12-4-7-15-39(34)44(40)37-13-5-2-10-32(37)33-11-3-6-14-38(33)44/h2-26H,1H3
InChIKeyAYPHJICWTYMOGB-UHFFFAOYSA-N
MW572.71 g/mol
LogP11.57
Rot. Bonds2

About 1-methyl-8-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran

1-methyl-8-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran (PubChem CID 156734737) has the molecular formula C44H28O and a molecular weight of 572.71 g/mol. Its IUPAC name is 1-methyl-8-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran.

Molecular Properties

Compound Name1-methyl-8-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran
PubChem CID156734737
Molecular FormulaC44H28O
Molecular Weight572.71 g/mol
Exact Mass572.21
IUPAC Name1-methyl-8-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran
SMILESCc1cccc2oc3ccc(-c4ccc(-c5ccc6c(c5)-c5ccccc5C65c6ccccc6-c6ccccc65)cc4)cc3c12
InChIInChI=1S/C44H28O/c1-27-9-8-16-42-43(27)36-26-31(22-24-41(36)45-42)29-19-17-28(18-20-29)30-21-23-40-35(25-30)34-12-4-7-15-39(34)44(40)37-13-5-2-10-32(37)33-11-3-6-14-38(33)44/h2-26H,1H3
InChIKeyAYPHJICWTYMOGB-UHFFFAOYSA-N
XLogP11.57
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.71
LogP ≤ 511.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(9-methyldibenzofuran-2-yl)-9-phenylcarbazole;1-methyl-4-phenylbenzene;4'-methyl-9,9'-spirobi[fluorene]
CID 145360960
2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-[8-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 156734906
2,4-di(dibenzofuran-1-yl)-6-[8-[4-(9,9-dimethylfluoren-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 153368778
2,4-di(dibenzothiophen-1-yl)-6-[8-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 153369265
N-(4-dibenzofuran-2-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-3-amine
CID 126538337
4-(9-methyldibenzofuran-2-yl)pyridine
CID 146397344
8-fluoranthen-3-yl-1-methyldibenzofuran
CID 145447322
2-(2-methyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran
CID 146397383
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(9,9'-spirobi[fluorene]-3-yl)carbazole
CID 154602166
2-dibenzothiophen-1-yl-4-(3-phenylphenyl)-6-[8-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166003018
2-[8-(9,9-dimethylfluoren-3-yl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 153369020
2-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-[3-[8-(4-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine
CID 134198600

Frequently Asked Questions

What is the IUPAC name of 1-methyl-8-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran?
The IUPAC name of 1-methyl-8-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran (CID 156734737) is 1-methyl-8-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran.
What is the SMILES notation for 1-methyl-8-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran?
The canonical SMILES for 1-methyl-8-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran is Cc1cccc2oc3ccc(-c4ccc(-c5ccc6c(c5)-c5ccccc5C65c6ccccc6-c6ccccc65)cc4)cc3c12.
What is the InChIKey of 1-methyl-8-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran?
The InChIKey is AYPHJICWTYMOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28O/c1-27-9-8-16-42-43(27)36-26-31(22-24-41(36)45-42)29-19-17-28(18-20-29)30-21-23-40-35(25-30)34-12-4-7-15-39(34)44(40)37-13-5-2-10-32(37)33-11-3-6-14-38(33)44/h2-26H,1H3.
What are the key properties of 1-methyl-8-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran?
1-methyl-8-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran has a molecular weight of 572.71 g/mol, XLogP of 11.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-8-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran is sourced from PubChem (CID 156734737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).