N-(9,9-dimethylfluoren-1-yl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine

C43H31NO — CID 167323880

IUPACN-(9,9-dimethylfluoren-1-yl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine
SMILESCC1(C)c2ccccc2-c2cccc(N(c3cccc(-c4ccc5ccccc5c4)c3)c3ccc4oc5ccccc5c4c3)c21
InChIInChI=1S/C43H31NO/c1-43(2)38-18-7-5-15-34(38)36-17-10-19-39(42(36)43)44(33-23-24-41-37(27-33)35-16-6-8-20-40(35)45-41)32-14-9-13-30(26-32)31-22-21-28-11-3-4-12-29(28)25-31/h3-27H,1-2H3
InChIKeyAXJITCGQHQBGGN-UHFFFAOYSA-N
MW577.73 g/mol
LogP12.18
Rot. Bonds4

About N-(9,9-dimethylfluoren-1-yl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine

N-(9,9-dimethylfluoren-1-yl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine (PubChem CID 167323880) has the molecular formula C43H31NO and a molecular weight of 577.73 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-1-yl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-1-yl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine
PubChem CID167323880
Molecular FormulaC43H31NO
Molecular Weight577.73 g/mol
Exact Mass577.24
IUPAC NameN-(9,9-dimethylfluoren-1-yl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine
SMILESCC1(C)c2ccccc2-c2cccc(N(c3cccc(-c4ccc5ccccc5c4)c3)c3ccc4oc5ccccc5c4c3)c21
InChIInChI=1S/C43H31NO/c1-43(2)38-18-7-5-15-34(38)36-17-10-19-39(42(36)43)44(33-23-24-41-37(27-33)35-16-6-8-20-40(35)45-41)32-14-9-13-30(26-32)31-22-21-28-11-3-4-12-29(28)25-31/h3-27H,1-2H3
InChIKeyAXJITCGQHQBGGN-UHFFFAOYSA-N
XLogP12.18
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.73
LogP ≤ 512.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-1-amine;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-naphthalen-2-ylfluoren-1-amine;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-phenylfluoren-1-amine;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine;N-(4-dibenzofuran-2-ylphenyl)-N-naphthalen-1-yldibenzofuran-2-amine;methane
CID 160895510
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-3-naphthalen-2-ylaniline
CID 167323768
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 167324263
9,9-dimethyl-N-(3-naphtho[2,1-b][1]benzofuran-1-ylphenyl)-N-(4-phenylphenyl)fluoren-1-amine
CID 168807505
N-(4-dibenzofuran-2-ylphenyl)-4-(9,9-dimethylfluoren-3-yl)-N-phenylaniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-1-amine;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-2-amine
CID 161220626
N-[2-[2-(9-methylfluoren-9-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 169293004
N-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine
CID 71126693
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yldibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyldibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 157179912
N-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-2-yl]-N-(3-phenylphenyl)dibenzofuran-2-amine
CID 170413017
N-(11,11-dimethylbenzo[a]fluoren-4-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 148507148
N-(3-dibenzofuran-2-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 170535376
12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)fluoreno[2,1-b][1]benzofuran-10-amine
CID 164764763

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-1-yl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-1-yl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine (CID 167323880) is N-(9,9-dimethylfluoren-1-yl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-1-yl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-1-yl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine is CC1(C)c2ccccc2-c2cccc(N(c3cccc(-c4ccc5ccccc5c4)c3)c3ccc4oc5ccccc5c4c3)c21.
What is the InChIKey of N-(9,9-dimethylfluoren-1-yl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine?
The InChIKey is AXJITCGQHQBGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31NO/c1-43(2)38-18-7-5-15-34(38)36-17-10-19-39(42(36)43)44(33-23-24-41-37(27-33)35-16-6-8-20-40(35)45-41)32-14-9-13-30(26-32)31-22-21-28-11-3-4-12-29(28)25-31/h3-27H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-1-yl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine?
N-(9,9-dimethylfluoren-1-yl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine has a molecular weight of 577.73 g/mol, XLogP of 12.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-1-yl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 167323880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).