N-dibenzofuran-1-yl-12-ethyl-12-methyl-N-(4-phenylphenyl)fluoreno[2,1-b][1]benzofuran-4-amine

C46H33NO2 — CID 134393215

IUPACN-dibenzofuran-1-yl-12-ethyl-12-methyl-N-(4-phenylphenyl)fluoreno[2,1-b][1]benzofuran-4-amine
SMILESCCC1(C)c2ccccc2-c2ccc3oc4c(N(c5ccc(-c6ccccc6)cc5)c5cccc6oc7ccccc7c56)cccc4c3c21
InChIInChI=1S/C46H33NO2/c1-3-46(2)36-18-9-7-15-32(36)33-27-28-41-43(44(33)46)35-17-11-20-38(45(35)49-41)47(31-25-23-30(24-26-31)29-13-5-4-6-14-29)37-19-12-22-40-42(37)34-16-8-10-21-39(34)48-40/h4-28H,3H2,1-2H3
InChIKeySREMSLWJLUTFNV-UHFFFAOYSA-N
MW631.78 g/mol
LogP13.32
Rot. Bonds5

About N-dibenzofuran-1-yl-12-ethyl-12-methyl-N-(4-phenylphenyl)fluoreno[2,1-b][1]benzofuran-4-amine

N-dibenzofuran-1-yl-12-ethyl-12-methyl-N-(4-phenylphenyl)fluoreno[2,1-b][1]benzofuran-4-amine (PubChem CID 134393215) has the molecular formula C46H33NO2 and a molecular weight of 631.78 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-12-ethyl-12-methyl-N-(4-phenylphenyl)fluoreno[2,1-b][1]benzofuran-4-amine.

Molecular Properties

Compound NameN-dibenzofuran-1-yl-12-ethyl-12-methyl-N-(4-phenylphenyl)fluoreno[2,1-b][1]benzofuran-4-amine
PubChem CID134393215
Molecular FormulaC46H33NO2
Molecular Weight631.78 g/mol
Exact Mass631.25
IUPAC NameN-dibenzofuran-1-yl-12-ethyl-12-methyl-N-(4-phenylphenyl)fluoreno[2,1-b][1]benzofuran-4-amine
SMILESCCC1(C)c2ccccc2-c2ccc3oc4c(N(c5ccc(-c6ccccc6)cc5)c5cccc6oc7ccccc7c56)cccc4c3c21
InChIInChI=1S/C46H33NO2/c1-3-46(2)36-18-9-7-15-32(36)33-27-28-41-43(44(33)46)35-17-11-20-38(45(35)49-41)47(31-25-23-30(24-26-31)29-13-5-4-6-14-29)37-19-12-22-40-42(37)34-16-8-10-21-39(34)48-40/h4-28H,3H2,1-2H3
InChIKeySREMSLWJLUTFNV-UHFFFAOYSA-N
XLogP13.32
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.78
LogP ≤ 513.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzofuran-4-yl-6-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 169021944
N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-7-amine
CID 134393187
N-naphthalen-1-yl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 169022316
N-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397482
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)-2-phenylphenyl]dibenzofuran-1-amine
CID 170666178
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 170137784
N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yldibenzofuran-1-amine
CID 121391790
N-(2-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 155186765
N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 90277947
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 168790894
N-phenyl-9-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 163667046
N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylphenyl)dibenzofuran-1-amine
CID 130264392

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-12-ethyl-12-methyl-N-(4-phenylphenyl)fluoreno[2,1-b][1]benzofuran-4-amine?
The IUPAC name of N-dibenzofuran-1-yl-12-ethyl-12-methyl-N-(4-phenylphenyl)fluoreno[2,1-b][1]benzofuran-4-amine (CID 134393215) is N-dibenzofuran-1-yl-12-ethyl-12-methyl-N-(4-phenylphenyl)fluoreno[2,1-b][1]benzofuran-4-amine.
What is the SMILES notation for N-dibenzofuran-1-yl-12-ethyl-12-methyl-N-(4-phenylphenyl)fluoreno[2,1-b][1]benzofuran-4-amine?
The canonical SMILES for N-dibenzofuran-1-yl-12-ethyl-12-methyl-N-(4-phenylphenyl)fluoreno[2,1-b][1]benzofuran-4-amine is CCC1(C)c2ccccc2-c2ccc3oc4c(N(c5ccc(-c6ccccc6)cc5)c5cccc6oc7ccccc7c56)cccc4c3c21.
What is the InChIKey of N-dibenzofuran-1-yl-12-ethyl-12-methyl-N-(4-phenylphenyl)fluoreno[2,1-b][1]benzofuran-4-amine?
The InChIKey is SREMSLWJLUTFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H33NO2/c1-3-46(2)36-18-9-7-15-32(36)33-27-28-41-43(44(33)46)35-17-11-20-38(45(35)49-41)47(31-25-23-30(24-26-31)29-13-5-4-6-14-29)37-19-12-22-40-42(37)34-16-8-10-21-39(34)48-40/h4-28H,3H2,1-2H3.
What are the key properties of N-dibenzofuran-1-yl-12-ethyl-12-methyl-N-(4-phenylphenyl)fluoreno[2,1-b][1]benzofuran-4-amine?
N-dibenzofuran-1-yl-12-ethyl-12-methyl-N-(4-phenylphenyl)fluoreno[2,1-b][1]benzofuran-4-amine has a molecular weight of 631.78 g/mol, XLogP of 13.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-1-yl-12-ethyl-12-methyl-N-(4-phenylphenyl)fluoreno[2,1-b][1]benzofuran-4-amine is sourced from PubChem (CID 134393215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).