N-(9,9-dimethylfluoren-4-yl)-9-phenyldibenzofuran-4-amine

C33H25NO — CID 172544870

IUPACN-(9,9-dimethylfluoren-4-yl)-9-phenyldibenzofuran-4-amine
SMILESCC1(C)c2ccccc2-c2c(Nc3cccc4c3oc3cccc(-c5ccccc5)c34)cccc21
InChIInChI=1S/C33H25NO/c1-33(2)25-16-7-6-13-23(25)31-26(33)17-10-18-27(31)34-28-19-8-15-24-30-22(21-11-4-3-5-12-21)14-9-20-29(30)35-32(24)28/h3-20,34H,1-2H3
InChIKeyRSGPYZJNKRUTBM-UHFFFAOYSA-N
MW451.57 g/mol
LogP9.30
Rot. Bonds3

About N-(9,9-dimethylfluoren-4-yl)-9-phenyldibenzofuran-4-amine

N-(9,9-dimethylfluoren-4-yl)-9-phenyldibenzofuran-4-amine (PubChem CID 172544870) has the molecular formula C33H25NO and a molecular weight of 451.57 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-4-yl)-9-phenyldibenzofuran-4-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-4-yl)-9-phenyldibenzofuran-4-amine
PubChem CID172544870
Molecular FormulaC33H25NO
Molecular Weight451.57 g/mol
Exact Mass451.19
IUPAC NameN-(9,9-dimethylfluoren-4-yl)-9-phenyldibenzofuran-4-amine
SMILESCC1(C)c2ccccc2-c2c(Nc3cccc4c3oc3cccc(-c5ccccc5)c34)cccc21
InChIInChI=1S/C33H25NO/c1-33(2)25-16-7-6-13-23(25)31-26(33)17-10-18-27(31)34-28-19-8-15-24-30-22(21-11-4-3-5-12-21)14-9-20-29(30)35-32(24)28/h3-20,34H,1-2H3
InChIKeyRSGPYZJNKRUTBM-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-(9,9-dimethylfluoren-4-yl)-6-phenyldibenzofuran-4-amine
CID 172544973
9,9-dimethyl-N-(2-phenylphenyl)fluoren-4-amine
CID 121358619
N-(3-dibenzofuran-2-ylphenyl)-9,9-dimethylfluoren-4-amine
CID 139568225
N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-6-phenyldibenzofuran-1-amine
CID 172544930
4,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine
CID 172545038
14,14-dimethyl-7-(6-phenylpyren-1-yl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 170125911
8-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine
CID 172545015
1,6-diphenyldibenzofuran
CID 145331756
N-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N-[2-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 176583226
N-(9,9-dimethylfluoren-4-yl)-N-(2-naphthalen-1-ylphenyl)-6-phenyldibenzofuran-1-amine
CID 172544770
N-[2-(9-methylfluoren-9-yl)phenyl]dibenzofuran-4-amine
CID 129293089
N-[4-[2-[(1Z)-buta-1,3-dienyl]-3-methyl-1-benzofuran-7-yl]phenyl]-9,9-dimethylfluoren-4-amine
CID 142340616

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-4-yl)-9-phenyldibenzofuran-4-amine?
The IUPAC name of N-(9,9-dimethylfluoren-4-yl)-9-phenyldibenzofuran-4-amine (CID 172544870) is N-(9,9-dimethylfluoren-4-yl)-9-phenyldibenzofuran-4-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-4-yl)-9-phenyldibenzofuran-4-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-4-yl)-9-phenyldibenzofuran-4-amine is CC1(C)c2ccccc2-c2c(Nc3cccc4c3oc3cccc(-c5ccccc5)c34)cccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-4-yl)-9-phenyldibenzofuran-4-amine?
The InChIKey is RSGPYZJNKRUTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25NO/c1-33(2)25-16-7-6-13-23(25)31-26(33)17-10-18-27(31)34-28-19-8-15-24-30-22(21-11-4-3-5-12-21)14-9-20-29(30)35-32(24)28/h3-20,34H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-4-yl)-9-phenyldibenzofuran-4-amine?
N-(9,9-dimethylfluoren-4-yl)-9-phenyldibenzofuran-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-(9,9-dimethylfluoren-4-yl)-9-phenyldibenzofuran-4-amine is sourced from PubChem (CID 172544870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).