N-dibenzofuran-4-yl-12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoreno[1,2-b][1]benzofuran-2-amine

C49H33NO2 — CID 164764699

IUPACN-dibenzofuran-4-yl-12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoreno[1,2-b][1]benzofuran-2-amine
SMILESCC1(C)c2cc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc4c3oc3ccccc34)ccc2-c2ccc3c(oc4ccccc43)c21
InChIInChI=1S/C49H33NO2/c1-49(2)42-29-35(24-25-36(42)39-26-27-41-38-13-6-8-17-45(38)52-48(41)46(39)49)50(43-15-9-14-40-37-12-5-7-16-44(37)51-47(40)43)34-22-20-31(21-23-34)33-19-18-30-10-3-4-11-32(30)28-33/h3-29H,1-2H3
InChIKeyPFKXISAQEOQHCG-UHFFFAOYSA-N
MW667.81 g/mol
LogP14.08
Rot. Bonds4

About N-dibenzofuran-4-yl-12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoreno[1,2-b][1]benzofuran-2-amine

N-dibenzofuran-4-yl-12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoreno[1,2-b][1]benzofuran-2-amine (PubChem CID 164764699) has the molecular formula C49H33NO2 and a molecular weight of 667.81 g/mol. Its IUPAC name is N-dibenzofuran-4-yl-12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoreno[1,2-b][1]benzofuran-2-amine.

Molecular Properties

Compound NameN-dibenzofuran-4-yl-12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoreno[1,2-b][1]benzofuran-2-amine
PubChem CID164764699
Molecular FormulaC49H33NO2
Molecular Weight667.81 g/mol
Exact Mass667.25
IUPAC NameN-dibenzofuran-4-yl-12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoreno[1,2-b][1]benzofuran-2-amine
SMILESCC1(C)c2cc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc4c3oc3ccccc34)ccc2-c2ccc3c(oc4ccccc43)c21
InChIInChI=1S/C49H33NO2/c1-49(2)42-29-35(24-25-36(42)39-26-27-41-38-13-6-8-17-45(38)52-48(41)46(39)49)50(43-15-9-14-40-37-12-5-7-16-44(37)51-47(40)43)34-22-20-31(21-23-34)33-19-18-30-10-3-4-11-32(30)28-33/h3-29H,1-2H3
InChIKeyPFKXISAQEOQHCG-UHFFFAOYSA-N
XLogP14.08
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.81
LogP ≤ 514.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-2-amine
CID 146437090
12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine;12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-10-amine;12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-3-amine;12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-10-amine
CID 160770328
12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine;12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-2-amine;12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-3-amine
CID 163434632
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yldibenzofuran-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyldibenzofuran-4-amine;N-naphthalen-1-yl-N-(4-phenylphenyl)dibenzofuran-4-amine;N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-4-amine;N-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 159844294
N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 166028626
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-7-phenylfluoren-2-amine
CID 67964342
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-4-amine
CID 170215746
12,12-dimethyl-N,N-bis(4-naphthalen-2-ylphenyl)fluoreno[1,2-b][1]benzofuran-8-amine
CID 146647827
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-naphthalen-1-yl-7-naphthalen-2-ylfluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-naphthalen-2-yl-N-phenylfluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-7-phenylfluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-7-phenylfluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 161150282
12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)fluoreno[2,1-b][1]benzofuran-10-amine
CID 164764763
N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 88534275
N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine
CID 177114159

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-4-yl-12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoreno[1,2-b][1]benzofuran-2-amine?
The IUPAC name of N-dibenzofuran-4-yl-12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoreno[1,2-b][1]benzofuran-2-amine (CID 164764699) is N-dibenzofuran-4-yl-12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoreno[1,2-b][1]benzofuran-2-amine.
What is the SMILES notation for N-dibenzofuran-4-yl-12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoreno[1,2-b][1]benzofuran-2-amine?
The canonical SMILES for N-dibenzofuran-4-yl-12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoreno[1,2-b][1]benzofuran-2-amine is CC1(C)c2cc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc4c3oc3ccccc34)ccc2-c2ccc3c(oc4ccccc43)c21.
What is the InChIKey of N-dibenzofuran-4-yl-12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoreno[1,2-b][1]benzofuran-2-amine?
The InChIKey is PFKXISAQEOQHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33NO2/c1-49(2)42-29-35(24-25-36(42)39-26-27-41-38-13-6-8-17-45(38)52-48(41)46(39)49)50(43-15-9-14-40-37-12-5-7-16-44(37)51-47(40)43)34-22-20-31(21-23-34)33-19-18-30-10-3-4-11-32(30)28-33/h3-29H,1-2H3.
What are the key properties of N-dibenzofuran-4-yl-12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoreno[1,2-b][1]benzofuran-2-amine?
N-dibenzofuran-4-yl-12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoreno[1,2-b][1]benzofuran-2-amine has a molecular weight of 667.81 g/mol, XLogP of 14.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-4-yl-12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoreno[1,2-b][1]benzofuran-2-amine is sourced from PubChem (CID 164764699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).