7,7-dimethyl-N-naphthalen-1-yl-N-phenylfluoreno[4,3-b][1]benzofuran-1-amine

C37H27NO — CID 118405099

IUPAC7,7-dimethyl-N-naphthalen-1-yl-N-phenylfluoreno[4,3-b][1]benzofuran-1-amine
SMILESCC1(C)c2ccccc2-c2c1ccc1c2oc2c(N(c3ccccc3)c3cccc4ccccc34)cccc21
InChIInChI=1S/C37H27NO/c1-37(2)30-19-9-8-17-29(30)34-31(37)23-22-28-27-18-11-21-33(35(27)39-36(28)34)38(25-14-4-3-5-15-25)32-20-10-13-24-12-6-7-16-26(24)32/h3-23H,1-2H3
InChIKeyCKBFLXBBCPHWMD-UHFFFAOYSA-N
MW501.63 g/mol
LogP10.52
Rot. Bonds3

About 7,7-dimethyl-N-naphthalen-1-yl-N-phenylfluoreno[4,3-b][1]benzofuran-1-amine

7,7-dimethyl-N-naphthalen-1-yl-N-phenylfluoreno[4,3-b][1]benzofuran-1-amine (PubChem CID 118405099) has the molecular formula C37H27NO and a molecular weight of 501.63 g/mol. Its IUPAC name is 7,7-dimethyl-N-naphthalen-1-yl-N-phenylfluoreno[4,3-b][1]benzofuran-1-amine.

Molecular Properties

Compound Name7,7-dimethyl-N-naphthalen-1-yl-N-phenylfluoreno[4,3-b][1]benzofuran-1-amine
PubChem CID118405099
Molecular FormulaC37H27NO
Molecular Weight501.63 g/mol
Exact Mass501.21
IUPAC Name7,7-dimethyl-N-naphthalen-1-yl-N-phenylfluoreno[4,3-b][1]benzofuran-1-amine
SMILESCC1(C)c2ccccc2-c2c1ccc1c2oc2c(N(c3ccccc3)c3cccc4ccccc34)cccc21
InChIInChI=1S/C37H27NO/c1-37(2)30-19-9-8-17-29(30)34-31(37)23-22-28-27-18-11-21-33(35(27)39-36(28)34)38(25-14-4-3-5-15-25)32-20-10-13-24-12-6-7-16-26(24)32/h3-23H,1-2H3
InChIKeyCKBFLXBBCPHWMD-UHFFFAOYSA-N
XLogP10.52
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.63
LogP ≤ 510.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-4-yl)-7,7-dimethyl-N-naphthalen-2-ylfluoreno[4,3-b][1]benzofuran-1-amine
CID 142515804
9,9-dimethyl-N-naphthalen-1-yl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine
CID 177122090
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 177121830
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-10-amine
CID 177121634
12,12-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-10-amine
CID 134392980
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-naphthalen-1-ylfluoreno[4,3-b][1]benzofuran-10-amine
CID 118405343
N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 90277947
N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-1-yldibenzofuran-4-amine
CID 118405712
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 177122286
N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 177122285
N-(9,9-dimethylfluoren-4-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-4-amine
CID 142515726
N-(11,11-dimethylbenzo[a]fluoren-6-yl)-N-phenyldibenzofuran-4-amine
CID 164929416

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-N-naphthalen-1-yl-N-phenylfluoreno[4,3-b][1]benzofuran-1-amine?
The IUPAC name of 7,7-dimethyl-N-naphthalen-1-yl-N-phenylfluoreno[4,3-b][1]benzofuran-1-amine (CID 118405099) is 7,7-dimethyl-N-naphthalen-1-yl-N-phenylfluoreno[4,3-b][1]benzofuran-1-amine.
What is the SMILES notation for 7,7-dimethyl-N-naphthalen-1-yl-N-phenylfluoreno[4,3-b][1]benzofuran-1-amine?
The canonical SMILES for 7,7-dimethyl-N-naphthalen-1-yl-N-phenylfluoreno[4,3-b][1]benzofuran-1-amine is CC1(C)c2ccccc2-c2c1ccc1c2oc2c(N(c3ccccc3)c3cccc4ccccc34)cccc21.
What is the InChIKey of 7,7-dimethyl-N-naphthalen-1-yl-N-phenylfluoreno[4,3-b][1]benzofuran-1-amine?
The InChIKey is CKBFLXBBCPHWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27NO/c1-37(2)30-19-9-8-17-29(30)34-31(37)23-22-28-27-18-11-21-33(35(27)39-36(28)34)38(25-14-4-3-5-15-25)32-20-10-13-24-12-6-7-16-26(24)32/h3-23H,1-2H3.
What are the key properties of 7,7-dimethyl-N-naphthalen-1-yl-N-phenylfluoreno[4,3-b][1]benzofuran-1-amine?
7,7-dimethyl-N-naphthalen-1-yl-N-phenylfluoreno[4,3-b][1]benzofuran-1-amine has a molecular weight of 501.63 g/mol, XLogP of 10.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-N-naphthalen-1-yl-N-phenylfluoreno[4,3-b][1]benzofuran-1-amine is sourced from PubChem (CID 118405099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).