9-N-dibenzofuran-4-yl-5-N,5-N,9-N-triphenylnaphtho[1,2-b][1]benzofuran-5,9-diamine

C46H30N2O2 — CID 155172997

IUPAC9-N-dibenzofuran-4-yl-5-N,5-N,9-N-triphenylnaphtho[1,2-b][1]benzofuran-5,9-diamine
SMILESc1ccc(N(c2ccccc2)c2cc3c4ccc(N(c5ccccc5)c5cccc6c5oc5ccccc56)cc4oc3c3ccccc23)cc1
InChIInChI=1S/C46H30N2O2/c1-4-15-31(16-5-1)47(32-17-6-2-7-18-32)42-30-40-37-28-27-34(29-44(37)50-45(40)38-23-11-10-21-35(38)42)48(33-19-8-3-9-20-33)41-25-14-24-39-36-22-12-13-26-43(36)49-46(39)41/h1-30H
InChIKeyRRLGOJZEYPTZTO-UHFFFAOYSA-N
MW642.76 g/mol
LogP13.58
Rot. Bonds6

About 9-N-dibenzofuran-4-yl-5-N,5-N,9-N-triphenylnaphtho[1,2-b][1]benzofuran-5,9-diamine

9-N-dibenzofuran-4-yl-5-N,5-N,9-N-triphenylnaphtho[1,2-b][1]benzofuran-5,9-diamine (PubChem CID 155172997) has the molecular formula C46H30N2O2 and a molecular weight of 642.76 g/mol. Its IUPAC name is 9-N-dibenzofuran-4-yl-5-N,5-N,9-N-triphenylnaphtho[1,2-b][1]benzofuran-5,9-diamine.

Molecular Properties

Compound Name9-N-dibenzofuran-4-yl-5-N,5-N,9-N-triphenylnaphtho[1,2-b][1]benzofuran-5,9-diamine
PubChem CID155172997
Molecular FormulaC46H30N2O2
Molecular Weight642.76 g/mol
Exact Mass642.23
IUPAC Name9-N-dibenzofuran-4-yl-5-N,5-N,9-N-triphenylnaphtho[1,2-b][1]benzofuran-5,9-diamine
SMILESc1ccc(N(c2ccccc2)c2cc3c4ccc(N(c5ccccc5)c5cccc6c5oc5ccccc56)cc4oc3c3ccccc23)cc1
InChIInChI=1S/C46H30N2O2/c1-4-15-31(16-5-1)47(32-17-6-2-7-18-32)42-30-40-37-28-27-34(29-44(37)50-45(40)38-23-11-10-21-35(38)42)48(33-19-8-3-9-20-33)41-25-14-24-39-36-22-12-13-26-43(36)49-46(39)41/h1-30H
InChIKeyRRLGOJZEYPTZTO-UHFFFAOYSA-N
XLogP13.58
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.76
LogP ≤ 513.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-N-dibenzofuran-4-yl-5-N,5-N,9-N-triphenylnaphtho[1,2-b][1]benzofuran-5,9-diamine with MolForge

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Related Compounds

6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine
CID 162475564
N-dibenzofuran-4-yl-N-phenyl-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaen-7-amine
CID 162475643
N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 121241788
N-dibenzofuran-3-yl-N,5-diphenylnaphtho[1,2-b][1]benzofuran-10-amine
CID 167144409
N-dibenzofuran-3-yl-N-triphenylen-2-yldibenzofuran-4-amine
CID 166845761
N-phenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 90262621
6-N-dibenzofuran-2-yl-2-N,2-N,6-N-triphenyldibenzofuran-2,6-diamine
CID 167208512
3-N-dibenzofuran-4-yl-10-N,10-N-diphenyl-3-N-(4-phenylphenyl)phenanthrene-3,10-diamine
CID 170283931
N-dibenzofuran-3-yl-N,5-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167402059
N-dibenzofuran-3-yl-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167144400
7-(7-dibenzofuran-3-yldibenzofuran-3-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 174244796
N,N-diphenyldibenzofuran-4-amine;ethane
CID 158587957

Frequently Asked Questions

What is the IUPAC name of 9-N-dibenzofuran-4-yl-5-N,5-N,9-N-triphenylnaphtho[1,2-b][1]benzofuran-5,9-diamine?
The IUPAC name of 9-N-dibenzofuran-4-yl-5-N,5-N,9-N-triphenylnaphtho[1,2-b][1]benzofuran-5,9-diamine (CID 155172997) is 9-N-dibenzofuran-4-yl-5-N,5-N,9-N-triphenylnaphtho[1,2-b][1]benzofuran-5,9-diamine.
What is the SMILES notation for 9-N-dibenzofuran-4-yl-5-N,5-N,9-N-triphenylnaphtho[1,2-b][1]benzofuran-5,9-diamine?
The canonical SMILES for 9-N-dibenzofuran-4-yl-5-N,5-N,9-N-triphenylnaphtho[1,2-b][1]benzofuran-5,9-diamine is c1ccc(N(c2ccccc2)c2cc3c4ccc(N(c5ccccc5)c5cccc6c5oc5ccccc56)cc4oc3c3ccccc23)cc1.
What is the InChIKey of 9-N-dibenzofuran-4-yl-5-N,5-N,9-N-triphenylnaphtho[1,2-b][1]benzofuran-5,9-diamine?
The InChIKey is RRLGOJZEYPTZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2O2/c1-4-15-31(16-5-1)47(32-17-6-2-7-18-32)42-30-40-37-28-27-34(29-44(37)50-45(40)38-23-11-10-21-35(38)42)48(33-19-8-3-9-20-33)41-25-14-24-39-36-22-12-13-26-43(36)49-46(39)41/h1-30H.
What are the key properties of 9-N-dibenzofuran-4-yl-5-N,5-N,9-N-triphenylnaphtho[1,2-b][1]benzofuran-5,9-diamine?
9-N-dibenzofuran-4-yl-5-N,5-N,9-N-triphenylnaphtho[1,2-b][1]benzofuran-5,9-diamine has a molecular weight of 642.76 g/mol, XLogP of 13.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N-dibenzofuran-4-yl-5-N,5-N,9-N-triphenylnaphtho[1,2-b][1]benzofuran-5,9-diamine is sourced from PubChem (CID 155172997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).