N-(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)dibenzofuran-4-amine

C46H33NO — CID 169022062

IUPACN-(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)dibenzofuran-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(Nc3cccc4c3oc3c(C5(c6ccccc6)c6ccccc6-c6ccccc65)cccc34)cc21
InChIInChI=1S/C46H33NO/c1-45(2)37-21-9-6-16-31(37)34-27-26-30(28-41(34)45)47-42-25-13-20-36-35-19-12-24-40(43(35)48-44(36)42)46(29-14-4-3-5-15-29)38-22-10-7-17-32(38)33-18-8-11-23-39(33)46/h3-28,47H,1-2H3
InChIKeyMRZMNADFXCKHHV-UHFFFAOYSA-N
MW615.78 g/mol
LogP12.00
Rot. Bonds4

About N-(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)dibenzofuran-4-amine

N-(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)dibenzofuran-4-amine (PubChem CID 169022062) has the molecular formula C46H33NO and a molecular weight of 615.78 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)dibenzofuran-4-amine
PubChem CID169022062
Molecular FormulaC46H33NO
Molecular Weight615.78 g/mol
Exact Mass615.26
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)dibenzofuran-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(Nc3cccc4c3oc3c(C5(c6ccccc6)c6ccccc6-c6ccccc65)cccc34)cc21
InChIInChI=1S/C46H33NO/c1-45(2)37-21-9-6-16-31(37)34-27-26-30(28-41(34)45)47-42-25-13-20-36-35-19-12-24-40(43(35)48-44(36)42)46(29-14-4-3-5-15-29)38-22-10-7-17-32(38)33-18-8-11-23-39(33)46/h3-28,47H,1-2H3
InChIKeyMRZMNADFXCKHHV-UHFFFAOYSA-N
XLogP12.00
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.78
LogP ≤ 512.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)dibenzofuran-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-amine
CID 166647190
N,N-bis(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)dibenzofuran-4-amine
CID 169022061
N-(4-tert-butylphenyl)naphthalen-1-amine;9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine;N-naphthalen-1-yl-9,9-diphenylfluoren-2-amine;N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine
CID 157367101
N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
CID 90294631
N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-3-amine
CID 169022367
N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-1-amine
CID 142567692
7,7-diphenyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-1-amine
CID 118487061
N-(9,9-dimethylfluoren-2-yl)-9,9,10,10-tetramethylanthracen-2-amine
CID 166647046
2-N,7-N-bis(2-anilinophenyl)-9,9-dimethylfluorene-2,7-diamine
CID 71080481
9,9-dimethyl-N-[4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 164724626
1-N,1-N-diphenyl-6-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1,6-diamine
CID 168799136
9,9-dimethyl-N-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine
CID 146293909

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)dibenzofuran-4-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)dibenzofuran-4-amine (CID 169022062) is N-(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)dibenzofuran-4-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)dibenzofuran-4-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)dibenzofuran-4-amine is CC1(C)c2ccccc2-c2ccc(Nc3cccc4c3oc3c(C5(c6ccccc6)c6ccccc6-c6ccccc65)cccc34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)dibenzofuran-4-amine?
The InChIKey is MRZMNADFXCKHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H33NO/c1-45(2)37-21-9-6-16-31(37)34-27-26-30(28-41(34)45)47-42-25-13-20-36-35-19-12-24-40(43(35)48-44(36)42)46(29-14-4-3-5-15-29)38-22-10-7-17-32(38)33-18-8-11-23-39(33)46/h3-28,47H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)dibenzofuran-4-amine?
N-(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)dibenzofuran-4-amine has a molecular weight of 615.78 g/mol, XLogP of 12.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)dibenzofuran-4-amine is sourced from PubChem (CID 169022062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).