N-(2-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine

C48H37NO — CID 139568033

IUPACN-(2-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccccc3-c3cccc4oc5ccccc5c34)c3cccc4c3-c3ccccc3C4(C)C)cccc21
InChIInChI=1S/C48H37NO/c1-47(2)35-21-9-5-17-32(35)45-37(47)23-14-26-40(45)49(41-27-15-24-38-46(41)33-18-6-10-22-36(33)48(38,3)4)39-25-11-7-16-30(39)31-20-13-29-43-44(31)34-19-8-12-28-42(34)50-43/h5-29H,1-4H3
InChIKeyHECINAKPCJOBQK-UHFFFAOYSA-N
MW643.83 g/mol
LogP13.34
Rot. Bonds4

About N-(2-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine

N-(2-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine (PubChem CID 139568033) has the molecular formula C48H37NO and a molecular weight of 643.83 g/mol. Its IUPAC name is N-(2-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine.

Molecular Properties

Compound NameN-(2-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine
PubChem CID139568033
Molecular FormulaC48H37NO
Molecular Weight643.83 g/mol
Exact Mass643.29
IUPAC NameN-(2-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccccc3-c3cccc4oc5ccccc5c34)c3cccc4c3-c3ccccc3C4(C)C)cccc21
InChIInChI=1S/C48H37NO/c1-47(2)35-21-9-5-17-32(35)45-37(47)23-14-26-40(45)49(41-27-15-24-38-46(41)33-18-6-10-22-36(33)48(38,3)4)39-25-11-7-16-30(39)31-20-13-29-43-44(31)34-19-8-12-28-42(34)50-43/h5-29H,1-4H3
InChIKeyHECINAKPCJOBQK-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-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N-[2-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 176583226
N-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 176583150
N-(2-dibenzofuran-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine
CID 176583162
N-(4-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9'-spirobi[fluorene]-4-amine
CID 135271088
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-5-ylphenyl)fluoren-4-amine
CID 170036685
N-(9,9-dimethylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 170119768
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-4-amine
CID 139568351
N-(9,9-dimethylfluoren-4-yl)-N-phenyldibenzofuran-2-amine
CID 164829370
N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-4-yl)naphtho[2,1-b][1]benzofuran-2-amine
CID 170035232
N-(2-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 135129602
6,8-ditert-butyl-N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-1-amine
CID 176751144
N-(9,9-dimethylfluoren-2-yl)-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 130263964

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine?
The IUPAC name of N-(2-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine (CID 139568033) is N-(2-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine.
What is the SMILES notation for N-(2-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine?
The canonical SMILES for N-(2-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine is CC1(C)c2ccccc2-c2c(N(c3ccccc3-c3cccc4oc5ccccc5c34)c3cccc4c3-c3ccccc3C4(C)C)cccc21.
What is the InChIKey of N-(2-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine?
The InChIKey is HECINAKPCJOBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H37NO/c1-47(2)35-21-9-5-17-32(35)45-37(47)23-14-26-40(45)49(41-27-15-24-38-46(41)33-18-6-10-22-36(33)48(38,3)4)39-25-11-7-16-30(39)31-20-13-29-43-44(31)34-19-8-12-28-42(34)50-43/h5-29H,1-4H3.
What are the key properties of N-(2-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine?
N-(2-dibenzofuran-1-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-(2-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine is sourced from PubChem (CID 139568033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).