N-dibenzofuran-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine

C46H29NO2 — CID 170301400

IUPACN-dibenzofuran-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
SMILESc1ccc(-c2ccc(N(c3ccc4oc5ccccc5c4c3)c3ccc4oc5cc(-c6ccccc6)c6ccccc6c5c4c3)cc2)cc1
InChIInChI=1S/C46H29NO2/c1-3-11-30(12-4-1)31-19-21-33(22-20-31)47(34-23-25-43-40(27-34)37-16-9-10-18-42(37)48-43)35-24-26-44-41(28-35)46-38-17-8-7-15-36(38)39(29-45(46)49-44)32-13-5-2-6-14-32/h1-29H
InChIKeyUUIAUDFFWDXPEA-UHFFFAOYSA-N
MW627.74 g/mol
LogP13.44
Rot. Bonds5

About N-dibenzofuran-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine

N-dibenzofuran-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine (PubChem CID 170301400) has the molecular formula C46H29NO2 and a molecular weight of 627.74 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
PubChem CID170301400
Molecular FormulaC46H29NO2
Molecular Weight627.74 g/mol
Exact Mass627.22
IUPAC NameN-dibenzofuran-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
SMILESc1ccc(-c2ccc(N(c3ccc4oc5ccccc5c4c3)c3ccc4oc5cc(-c6ccccc6)c6ccccc6c5c4c3)cc2)cc1
InChIInChI=1S/C46H29NO2/c1-3-11-30(12-4-1)31-19-21-33(22-20-31)47(34-23-25-43-40(27-34)37-16-9-10-18-42(37)48-43)35-24-26-44-41(28-35)46-38-17-8-7-15-36(38)39(29-45(46)49-44)32-13-5-2-6-14-32/h1-29H
InChIKeyUUIAUDFFWDXPEA-UHFFFAOYSA-N
XLogP13.44
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.74
LogP ≤ 513.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 118405736
N-phenyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-2-yl)phenyl]dibenzofuran-2-amine
CID 176765348
N-(4-naphtho[2,1-b][1]benzofuran-5-ylphenyl)-N,4-diphenylaniline
CID 170030744
N-(4-phenanthren-9-ylphenyl)-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
CID 170301497
N-dibenzofuran-1-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
CID 170301401
3-N-dibenzofuran-2-yl-1-N,1-N,3-N,5-N,5-N-pentakis(4-phenylphenyl)benzene-1,3,5-triamine
CID 118605058
N-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 174245859
N-dibenzofuran-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 121325419
N,N-bis(4-phenylphenyl)dibenzofuran-2-amine;N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 157238587
8-N-dibenzofuran-3-yl-2-N,8-N-diphenyl-2-N-(4-phenylphenyl)dibenzofuran-2,8-diamine
CID 146576028
2-N-dibenzofuran-3-yl-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-2,7-diamine
CID 146576058
N-(4-dibenzofuran-2-ylphenyl)-N-phenyldibenzofuran-2-amine
CID 90350985

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine?
The IUPAC name of N-dibenzofuran-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine (CID 170301400) is N-dibenzofuran-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine.
What is the SMILES notation for N-dibenzofuran-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine?
The canonical SMILES for N-dibenzofuran-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine is c1ccc(-c2ccc(N(c3ccc4oc5ccccc5c4c3)c3ccc4oc5cc(-c6ccccc6)c6ccccc6c5c4c3)cc2)cc1.
What is the InChIKey of N-dibenzofuran-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine?
The InChIKey is UUIAUDFFWDXPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NO2/c1-3-11-30(12-4-1)31-19-21-33(22-20-31)47(34-23-25-43-40(27-34)37-16-9-10-18-42(37)48-43)35-24-26-44-41(28-35)46-38-17-8-7-15-36(38)39(29-45(46)49-44)32-13-5-2-6-14-32/h1-29H.
What are the key properties of N-dibenzofuran-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine?
N-dibenzofuran-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine has a molecular weight of 627.74 g/mol, XLogP of 13.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine is sourced from PubChem (CID 170301400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).