N-dibenzofuran-3-yl-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)dibenzofuran-3-amine

C46H27NO3 — CID 170033287

IUPACN-dibenzofuran-3-yl-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)dibenzofuran-3-amine
SMILESc1ccc2c(c1)ccc1oc3c(-c4ccc(N(c5ccc6c(c5)oc5ccccc56)c5ccc6c(c5)oc5ccccc56)cc4)cccc3c12
InChIInChI=1S/C46H27NO3/c1-2-9-33-28(8-1)18-25-42-45(33)39-13-7-12-34(46(39)50-42)29-16-19-30(20-17-29)47(31-21-23-37-35-10-3-5-14-40(35)48-43(37)26-31)32-22-24-38-36-11-4-6-15-41(36)49-44(38)27-32/h1-27H
InChIKeyZBHQYTAIIVGYKL-UHFFFAOYSA-N
MW641.73 g/mol
LogP13.67
Rot. Bonds4

About N-dibenzofuran-3-yl-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)dibenzofuran-3-amine

N-dibenzofuran-3-yl-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)dibenzofuran-3-amine (PubChem CID 170033287) has the molecular formula C46H27NO3 and a molecular weight of 641.73 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)dibenzofuran-3-amine
PubChem CID170033287
Molecular FormulaC46H27NO3
Molecular Weight641.73 g/mol
Exact Mass641.20
IUPAC NameN-dibenzofuran-3-yl-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)dibenzofuran-3-amine
SMILESc1ccc2c(c1)ccc1oc3c(-c4ccc(N(c5ccc6c(c5)oc5ccccc56)c5ccc6c(c5)oc5ccccc56)cc4)cccc3c12
InChIInChI=1S/C46H27NO3/c1-2-9-33-28(8-1)18-25-42-45(33)39-13-7-12-34(46(39)50-42)29-16-19-30(20-17-29)47(31-21-23-37-35-10-3-5-14-40(35)48-43(37)26-31)32-22-24-38-36-11-4-6-15-41(36)49-44(38)27-32/h1-27H
InChIKeyZBHQYTAIIVGYKL-UHFFFAOYSA-N
XLogP13.67
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.73
LogP ≤ 513.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaen-7-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 153300641
N-[4-(8-phenylnaphtho[2,1-b][1]benzofuran-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 168807244
N-(4-dibenzofuran-4-ylphenyl)-N-phenanthren-3-yldibenzofuran-2-amine
CID 168809728
4-naphthalen-1-yl-N,N-bis(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)aniline
CID 134337475
N-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)dibenzofuran-3-amine
CID 170032027
N-(4-naphthalen-1-ylphenyl)-N-phenanthren-3-yldibenzofuran-3-amine
CID 168809644
N-dibenzofuran-3-yl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]dibenzofuran-3-amine
CID 121296704
4-naphthalen-1-yl-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-N-phenylaniline
CID 170031129
N-(4-dibenzofuran-4-ylphenyl)-11-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 170674929
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-3-amine
CID 70808580
N-(4-benzo[c]phenanthren-5-ylphenyl)-N-dibenzofuran-3-yldibenzofuran-3-amine
CID 167181679
N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 139363157

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)dibenzofuran-3-amine?
The IUPAC name of N-dibenzofuran-3-yl-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)dibenzofuran-3-amine (CID 170033287) is N-dibenzofuran-3-yl-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)dibenzofuran-3-amine?
The canonical SMILES for N-dibenzofuran-3-yl-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)dibenzofuran-3-amine is c1ccc2c(c1)ccc1oc3c(-c4ccc(N(c5ccc6c(c5)oc5ccccc56)c5ccc6c(c5)oc5ccccc56)cc4)cccc3c12.
What is the InChIKey of N-dibenzofuran-3-yl-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)dibenzofuran-3-amine?
The InChIKey is ZBHQYTAIIVGYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27NO3/c1-2-9-33-28(8-1)18-25-42-45(33)39-13-7-12-34(46(39)50-42)29-16-19-30(20-17-29)47(31-21-23-37-35-10-3-5-14-40(35)48-43(37)26-31)32-22-24-38-36-11-4-6-15-41(36)49-44(38)27-32/h1-27H.
What are the key properties of N-dibenzofuran-3-yl-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)dibenzofuran-3-amine?
N-dibenzofuran-3-yl-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)dibenzofuran-3-amine has a molecular weight of 641.73 g/mol, XLogP of 13.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 170033287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).