N-(7-tert-butyldibenzofuran-1-yl)-8-phenyldibenzofuran-1-amine

C34H27NO2 — CID 168759232

IUPACN-(7-tert-butyldibenzofuran-1-yl)-8-phenyldibenzofuran-1-amine
SMILESCC(C)(C)c1ccc2c(c1)oc1cccc(Nc3cccc4oc5ccc(-c6ccccc6)cc5c34)c12
InChIInChI=1S/C34H27NO2/c1-34(2,3)23-16-17-24-31(20-23)37-29-13-7-11-26(32(24)29)35-27-12-8-14-30-33(27)25-19-22(15-18-28(25)36-30)21-9-5-4-6-10-21/h4-20,35H,1-3H3
InChIKeyANWJGLKSGZLMHB-UHFFFAOYSA-N
MW481.60 g/mol
LogP10.19
Rot. Bonds3

About N-(7-tert-butyldibenzofuran-1-yl)-8-phenyldibenzofuran-1-amine

N-(7-tert-butyldibenzofuran-1-yl)-8-phenyldibenzofuran-1-amine (PubChem CID 168759232) has the molecular formula C34H27NO2 and a molecular weight of 481.60 g/mol. Its IUPAC name is N-(7-tert-butyldibenzofuran-1-yl)-8-phenyldibenzofuran-1-amine.

Molecular Properties

Compound NameN-(7-tert-butyldibenzofuran-1-yl)-8-phenyldibenzofuran-1-amine
PubChem CID168759232
Molecular FormulaC34H27NO2
Molecular Weight481.60 g/mol
Exact Mass481.20
IUPAC NameN-(7-tert-butyldibenzofuran-1-yl)-8-phenyldibenzofuran-1-amine
SMILESCC(C)(C)c1ccc2c(c1)oc1cccc(Nc3cccc4oc5ccc(-c6ccccc6)cc5c34)c12
InChIInChI=1S/C34H27NO2/c1-34(2,3)23-16-17-24-31(20-23)37-29-13-7-11-26(32(24)29)35-27-12-8-14-30-33(27)25-19-22(15-18-28(25)36-30)21-9-5-4-6-10-21/h4-20,35H,1-3H3
InChIKeyANWJGLKSGZLMHB-UHFFFAOYSA-N
XLogP10.19
TPSA38.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.60
LogP ≤ 510.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(8-tert-butyldibenzofuran-1-yl)-8-phenyldibenzofuran-1-amine
CID 176759764
N-[4-(2,6-ditert-butylphenyl)phenyl]-8-phenyldibenzofuran-1-amine
CID 176759691
8-phenyl-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 176759717
8-phenyl-N-[2-(4-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine
CID 176760060
N-(2,4-diphenylphenyl)dibenzofuran-1-amine
CID 176844480
N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 163590855
N-(4-phenanthren-2-ylphenyl)-7-phenyldibenzofuran-1-amine
CID 167397588
5-[3-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)phenyl]-18-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 118148546
2-(4-tert-butylphenyl)-8-(9,10-ditert-butyl-6-phenylanthracen-2-yl)dibenzofuran
CID 90262330
2-(6-tert-butyl-11-dibenzofuran-2-yltriphenylen-2-yl)dibenzofuran
CID 144568487
1-tert-butyl-6-phenyldibenzofuran;1-tert-butyl-7-phenyldibenzofuran;2-tert-butyl-6-phenyldibenzofuran;2-tert-butyl-7-phenyldibenzofuran;3-tert-butyl-7-phenyldibenzofuran;6-tert-butyl-2-phenyldibenzofuran;6-tert-butyl-3-phenyldibenzofuran
CID 165019061
5-phenyl-18-[3-(16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl)phenyl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 142487755

Frequently Asked Questions

What is the IUPAC name of N-(7-tert-butyldibenzofuran-1-yl)-8-phenyldibenzofuran-1-amine?
The IUPAC name of N-(7-tert-butyldibenzofuran-1-yl)-8-phenyldibenzofuran-1-amine (CID 168759232) is N-(7-tert-butyldibenzofuran-1-yl)-8-phenyldibenzofuran-1-amine.
What is the SMILES notation for N-(7-tert-butyldibenzofuran-1-yl)-8-phenyldibenzofuran-1-amine?
The canonical SMILES for N-(7-tert-butyldibenzofuran-1-yl)-8-phenyldibenzofuran-1-amine is CC(C)(C)c1ccc2c(c1)oc1cccc(Nc3cccc4oc5ccc(-c6ccccc6)cc5c34)c12.
What is the InChIKey of N-(7-tert-butyldibenzofuran-1-yl)-8-phenyldibenzofuran-1-amine?
The InChIKey is ANWJGLKSGZLMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27NO2/c1-34(2,3)23-16-17-24-31(20-23)37-29-13-7-11-26(32(24)29)35-27-12-8-14-30-33(27)25-19-22(15-18-28(25)36-30)21-9-5-4-6-10-21/h4-20,35H,1-3H3.
What are the key properties of N-(7-tert-butyldibenzofuran-1-yl)-8-phenyldibenzofuran-1-amine?
N-(7-tert-butyldibenzofuran-1-yl)-8-phenyldibenzofuran-1-amine has a molecular weight of 481.60 g/mol, XLogP of 10.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-tert-butyldibenzofuran-1-yl)-8-phenyldibenzofuran-1-amine is sourced from PubChem (CID 168759232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).