N-(3-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine

C48H37NO — CID 139568183

IUPACN-(3-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3cccc(-c4ccc5c(c4)oc4ccccc45)c3)c3cccc4c3-c3ccccc3C4(C)C)cccc21
InChIInChI=1S/C48H37NO/c1-47(2)37-19-8-5-17-35(37)45-39(47)21-12-23-41(45)49(42-24-13-22-40-46(42)36-18-6-9-20-38(36)48(40,3)4)32-15-11-14-30(28-32)31-26-27-34-33-16-7-10-25-43(33)50-44(34)29-31/h5-29H,1-4H3
InChIKeyALUNUKFCCBOWOS-UHFFFAOYSA-N
MW643.83 g/mol
LogP13.34
Rot. Bonds4

About N-(3-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine

N-(3-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine (PubChem CID 139568183) has the molecular formula C48H37NO and a molecular weight of 643.83 g/mol. Its IUPAC name is N-(3-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine.

Molecular Properties

Compound NameN-(3-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine
PubChem CID139568183
Molecular FormulaC48H37NO
Molecular Weight643.83 g/mol
Exact Mass643.29
IUPAC NameN-(3-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3cccc(-c4ccc5c(c4)oc4ccccc45)c3)c3cccc4c3-c3ccccc3C4(C)C)cccc21
InChIInChI=1S/C48H37NO/c1-47(2)37-19-8-5-17-35(37)45-39(47)21-12-23-41(45)49(42-24-13-22-40-46(42)36-18-6-9-20-38(36)48(40,3)4)32-15-11-14-30(28-32)31-26-27-34-33-16-7-10-25-43(33)50-44(34)29-31/h5-29H,1-4H3
InChIKeyALUNUKFCCBOWOS-UHFFFAOYSA-N
XLogP13.34
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.83
LogP ≤ 513.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-6,6,12,12-tetramethyl-9-phenylindeno[1,2-b]fluoren-2-amine
CID 138455866
N-(3-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-4-amine
CID 170535038
9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(3-phenylphenyl)fluoren-4-amine
CID 170035242
N-(3-dibenzofuran-2-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline
CID 170139631
3-[3-[(9,9-dimethylfluoren-2-yl)-(9,9-dimethylfluoren-4-yl)amino]phenyl]benzo[c]chromen-6-one
CID 121242405
N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
CID 129267011
N-(9,9-dimethylfluoren-4-yl)-N-phenyldibenzofuran-2-amine
CID 164829370
N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-4-amine
CID 139567960
N-(9,9-dimethylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 170119768
N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine
CID 139567835
N-(9,9-dimethylfluoren-4-yl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)dibenzofuran-1-amine
CID 138484780
N-(3-dibenzofuran-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
CID 170139028

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine?
The IUPAC name of N-(3-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine (CID 139568183) is N-(3-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine.
What is the SMILES notation for N-(3-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine?
The canonical SMILES for N-(3-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine is CC1(C)c2ccccc2-c2c(N(c3cccc(-c4ccc5c(c4)oc4ccccc45)c3)c3cccc4c3-c3ccccc3C4(C)C)cccc21.
What is the InChIKey of N-(3-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine?
The InChIKey is ALUNUKFCCBOWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H37NO/c1-47(2)37-19-8-5-17-35(37)45-39(47)21-12-23-41(45)49(42-24-13-22-40-46(42)36-18-6-9-20-38(36)48(40,3)4)32-15-11-14-30(28-32)31-26-27-34-33-16-7-10-25-43(33)50-44(34)29-31/h5-29H,1-4H3.
What are the key properties of N-(3-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine?
N-(3-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine has a molecular weight of 643.83 g/mol, XLogP of 13.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine is sourced from PubChem (CID 139568183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).