N-dibenzofuran-1-yl-7,7-dimethyl-N-phenylfluoreno[2,3-b][1]benzofuran-11-amine

C39H27NO2 — CID 134392934

IUPACN-dibenzofuran-1-yl-7,7-dimethyl-N-phenylfluoreno[2,3-b][1]benzofuran-11-amine
SMILESCC1(C)c2cc3oc4ccccc4c3cc2-c2c(N(c3ccccc3)c3cccc4oc5ccccc5c34)cccc21
InChIInChI=1S/C39H27NO2/c1-39(2)29-16-10-17-31(37(29)28-22-27-25-14-6-8-19-33(25)42-36(27)23-30(28)39)40(24-12-4-3-5-13-24)32-18-11-21-35-38(32)26-15-7-9-20-34(26)41-35/h3-23H,1-2H3
InChIKeyANTVGEFLASWMFR-UHFFFAOYSA-N
MW541.65 g/mol
LogP11.26
Rot. Bonds3

About N-dibenzofuran-1-yl-7,7-dimethyl-N-phenylfluoreno[2,3-b][1]benzofuran-11-amine

N-dibenzofuran-1-yl-7,7-dimethyl-N-phenylfluoreno[2,3-b][1]benzofuran-11-amine (PubChem CID 134392934) has the molecular formula C39H27NO2 and a molecular weight of 541.65 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-7,7-dimethyl-N-phenylfluoreno[2,3-b][1]benzofuran-11-amine.

Molecular Properties

Compound NameN-dibenzofuran-1-yl-7,7-dimethyl-N-phenylfluoreno[2,3-b][1]benzofuran-11-amine
PubChem CID134392934
Molecular FormulaC39H27NO2
Molecular Weight541.65 g/mol
Exact Mass541.20
IUPAC NameN-dibenzofuran-1-yl-7,7-dimethyl-N-phenylfluoreno[2,3-b][1]benzofuran-11-amine
SMILESCC1(C)c2cc3oc4ccccc4c3cc2-c2c(N(c3ccccc3)c3cccc4oc5ccccc5c34)cccc21
InChIInChI=1S/C39H27NO2/c1-39(2)29-16-10-17-31(37(29)28-22-27-25-14-6-8-19-33(25)42-36(27)23-30(28)39)40(24-12-4-3-5-13-24)32-18-11-21-35-38(32)26-15-7-9-20-34(26)41-35/h3-23H,1-2H3
InChIKeyANTVGEFLASWMFR-UHFFFAOYSA-N
XLogP11.26
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.65
LogP ≤ 511.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-7,7-dimethyl-N-phenylfluoreno[2,3-b][1]benzofuran-11-amine?
The IUPAC name of N-dibenzofuran-1-yl-7,7-dimethyl-N-phenylfluoreno[2,3-b][1]benzofuran-11-amine (CID 134392934) is N-dibenzofuran-1-yl-7,7-dimethyl-N-phenylfluoreno[2,3-b][1]benzofuran-11-amine.
What is the SMILES notation for N-dibenzofuran-1-yl-7,7-dimethyl-N-phenylfluoreno[2,3-b][1]benzofuran-11-amine?
The canonical SMILES for N-dibenzofuran-1-yl-7,7-dimethyl-N-phenylfluoreno[2,3-b][1]benzofuran-11-amine is CC1(C)c2cc3oc4ccccc4c3cc2-c2c(N(c3ccccc3)c3cccc4oc5ccccc5c34)cccc21.
What is the InChIKey of N-dibenzofuran-1-yl-7,7-dimethyl-N-phenylfluoreno[2,3-b][1]benzofuran-11-amine?
The InChIKey is ANTVGEFLASWMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27NO2/c1-39(2)29-16-10-17-31(37(29)28-22-27-25-14-6-8-19-33(25)42-36(27)23-30(28)39)40(24-12-4-3-5-13-24)32-18-11-21-35-38(32)26-15-7-9-20-34(26)41-35/h3-23H,1-2H3.
What are the key properties of N-dibenzofuran-1-yl-7,7-dimethyl-N-phenylfluoreno[2,3-b][1]benzofuran-11-amine?
N-dibenzofuran-1-yl-7,7-dimethyl-N-phenylfluoreno[2,3-b][1]benzofuran-11-amine has a molecular weight of 541.65 g/mol, XLogP of 11.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-1-yl-7,7-dimethyl-N-phenylfluoreno[2,3-b][1]benzofuran-11-amine is sourced from PubChem (CID 134392934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).