N-(3-dibenzofuran-2-ylphenyl)-9,9-dimethylfluoren-4-amine

C33H25NO — CID 139568225

IUPACN-(3-dibenzofuran-2-ylphenyl)-9,9-dimethylfluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(Nc3cccc(-c4ccc5oc6ccccc6c5c4)c3)cccc21
InChIInChI=1S/C33H25NO/c1-33(2)27-13-5-3-12-25(27)32-28(33)14-8-15-29(32)34-23-10-7-9-21(19-23)22-17-18-31-26(20-22)24-11-4-6-16-30(24)35-31/h3-20,34H,1-2H3
InChIKeyGFHGVDBBZFVNNO-UHFFFAOYSA-N
MW451.57 g/mol
LogP9.30
Rot. Bonds3

About N-(3-dibenzofuran-2-ylphenyl)-9,9-dimethylfluoren-4-amine

N-(3-dibenzofuran-2-ylphenyl)-9,9-dimethylfluoren-4-amine (PubChem CID 139568225) has the molecular formula C33H25NO and a molecular weight of 451.57 g/mol. Its IUPAC name is N-(3-dibenzofuran-2-ylphenyl)-9,9-dimethylfluoren-4-amine.

Molecular Properties

Compound NameN-(3-dibenzofuran-2-ylphenyl)-9,9-dimethylfluoren-4-amine
PubChem CID139568225
Molecular FormulaC33H25NO
Molecular Weight451.57 g/mol
Exact Mass451.19
IUPAC NameN-(3-dibenzofuran-2-ylphenyl)-9,9-dimethylfluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(Nc3cccc(-c4ccc5oc6ccccc6c5c4)c3)cccc21
InChIInChI=1S/C33H25NO/c1-33(2)27-13-5-3-12-25(27)32-28(33)14-8-15-29(32)34-23-10-7-9-21(19-23)22-17-18-31-26(20-22)24-11-4-6-16-30(24)35-31/h3-20,34H,1-2H3
InChIKeyGFHGVDBBZFVNNO-UHFFFAOYSA-N
XLogP9.30
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.57
LogP ≤ 59.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-dibenzofuran-2-ylphenyl)-2-phenylaniline
CID 121360316
N-(4-dibenzofuran-2-ylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(4-phenylnaphthalen-1-yl)-9,9'-spirobi[fluorene]-4-amine;N-[3-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 160799139
N-(9,9-dimethyl-5-phenylfluoren-2-yl)-8-phenyldibenzofuran-1-amine
CID 176760037
6-[3-(9,9,14,14-tetramethyl-6-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaenyl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 142487678
N-(1-dibenzofuran-2-ylnaphthalen-2-yl)-9,9-dimethylfluoren-2-amine
CID 156522410
2-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]dibenzofuran
CID 59195200
4,6-bis(3-dibenzofuran-2-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)pyrimidine
CID 126543799
2-(9,9-dimethylfluoren-2-yl)dibenzofuran
CID 122548566
N-(4-dibenzofuran-2-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170139719
N-dibenzofuran-2-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 166960056
2-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]dibenzofuran
CID 59194951
N-(3-dibenzofuran-2-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline
CID 170139631

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-2-ylphenyl)-9,9-dimethylfluoren-4-amine?
The IUPAC name of N-(3-dibenzofuran-2-ylphenyl)-9,9-dimethylfluoren-4-amine (CID 139568225) is N-(3-dibenzofuran-2-ylphenyl)-9,9-dimethylfluoren-4-amine.
What is the SMILES notation for N-(3-dibenzofuran-2-ylphenyl)-9,9-dimethylfluoren-4-amine?
The canonical SMILES for N-(3-dibenzofuran-2-ylphenyl)-9,9-dimethylfluoren-4-amine is CC1(C)c2ccccc2-c2c(Nc3cccc(-c4ccc5oc6ccccc6c5c4)c3)cccc21.
What is the InChIKey of N-(3-dibenzofuran-2-ylphenyl)-9,9-dimethylfluoren-4-amine?
The InChIKey is GFHGVDBBZFVNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25NO/c1-33(2)27-13-5-3-12-25(27)32-28(33)14-8-15-29(32)34-23-10-7-9-21(19-23)22-17-18-31-26(20-22)24-11-4-6-16-30(24)35-31/h3-20,34H,1-2H3.
What are the key properties of N-(3-dibenzofuran-2-ylphenyl)-9,9-dimethylfluoren-4-amine?
N-(3-dibenzofuran-2-ylphenyl)-9,9-dimethylfluoren-4-amine has a molecular weight of 451.57 g/mol, XLogP of 9.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzofuran-2-ylphenyl)-9,9-dimethylfluoren-4-amine is sourced from PubChem (CID 139568225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).