N-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-1-amine

C49H35NO — CID 172544887

IUPACN-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-1-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc4oc5c(-c6ccccc6)cccc5c34)cccc21
InChIInChI=1S/C49H35NO/c1-49(2)41-20-9-8-17-39(41)46-42(49)21-11-22-43(46)50(37-29-27-33(28-30-37)36-26-25-32-13-6-7-16-35(32)31-36)44-23-12-24-45-47(44)40-19-10-18-38(48(40)51-45)34-14-4-3-5-15-34/h3-31H,1-2H3
InChIKeySFRFULRVULFYHM-UHFFFAOYSA-N
MW653.83 g/mol
LogP13.85
Rot. Bonds5

About N-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-1-amine

N-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-1-amine (PubChem CID 172544887) has the molecular formula C49H35NO and a molecular weight of 653.83 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-1-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-1-amine
PubChem CID172544887
Molecular FormulaC49H35NO
Molecular Weight653.83 g/mol
Exact Mass653.27
IUPAC NameN-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-1-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc4oc5c(-c6ccccc6)cccc5c34)cccc21
InChIInChI=1S/C49H35NO/c1-49(2)41-20-9-8-17-39(41)46-42(49)21-11-22-43(46)50(37-29-27-33(28-30-37)36-26-25-32-13-6-7-16-35(32)31-36)44-23-12-24-45-47(44)40-19-10-18-38(48(40)51-45)34-14-4-3-5-15-34/h3-31H,1-2H3
InChIKeySFRFULRVULFYHM-UHFFFAOYSA-N
XLogP13.85
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.83
LogP ≤ 513.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-4-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-4-amine
CID 142515726
N-(9,9-dimethylfluoren-4-yl)-N-(2-naphthalen-1-ylphenyl)-6-phenyldibenzofuran-1-amine
CID 172544770
N-(2,4-diphenylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-4-amine
CID 155181875
9,9-dimethyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]fluoren-4-amine
CID 169020471
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-[2-(4-naphthalen-1-ylphenyl)phenyl]fluoren-4-amine
CID 169019982
N-[4-(7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-(7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 161043494
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 146251209
N-(4-naphthalen-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 168805033
9,9-dimethyl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)fluoren-4-amine
CID 174279927
N-(2-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 135129602
N-(2,4-dinaphthalen-2-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 155181697
9,9-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[3-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 169020176

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-1-amine?
The IUPAC name of N-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-1-amine (CID 172544887) is N-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-1-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-1-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-1-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc4oc5c(-c6ccccc6)cccc5c34)cccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-1-amine?
The InChIKey is SFRFULRVULFYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35NO/c1-49(2)41-20-9-8-17-39(41)46-42(49)21-11-22-43(46)50(37-29-27-33(28-30-37)36-26-25-32-13-6-7-16-35(32)31-36)44-23-12-24-45-47(44)40-19-10-18-38(48(40)51-45)34-14-4-3-5-15-34/h3-31H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-1-amine?
N-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-1-amine has a molecular weight of 653.83 g/mol, XLogP of 13.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-1-amine is sourced from PubChem (CID 172544887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).