N-dibenzofuran-3-yl-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine

C46H29NO2 — CID 167144400

IUPACN-dibenzofuran-3-yl-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3cccc4c3oc3c5ccccc5c(-c5ccccc5)cc43)cc2)cc1
InChIInChI=1S/C46H29NO2/c1-3-12-30(13-4-1)31-22-24-33(25-23-31)47(34-26-27-37-36-17-9-10-21-43(36)48-44(37)28-34)42-20-11-19-39-41-29-40(32-14-5-2-6-15-32)35-16-7-8-18-38(35)45(41)49-46(39)42/h1-29H
InChIKeyVEDWWGCZUYFNTO-UHFFFAOYSA-N
MW627.74 g/mol
LogP13.44
Rot. Bonds5

About N-dibenzofuran-3-yl-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine

N-dibenzofuran-3-yl-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine (PubChem CID 167144400) has the molecular formula C46H29NO2 and a molecular weight of 627.74 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
PubChem CID167144400
Molecular FormulaC46H29NO2
Molecular Weight627.74 g/mol
Exact Mass627.22
IUPAC NameN-dibenzofuran-3-yl-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3cccc4c3oc3c5ccccc5c(-c5ccccc5)cc43)cc2)cc1
InChIInChI=1S/C46H29NO2/c1-3-12-30(13-4-1)31-22-24-33(25-23-31)47(34-26-27-37-36-17-9-10-21-43(36)48-44(37)28-34)42-20-11-19-39-41-29-40(32-14-5-2-6-15-32)35-16-7-8-18-38(35)45(41)49-46(39)42/h1-29H
InChIKeyVEDWWGCZUYFNTO-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-dibenzofuran-3-yl-N,5-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167402059
N-dibenzofuran-3-yl-N,5-diphenylnaphtho[1,2-b][1]benzofuran-10-amine
CID 167144409
N-dibenzofuran-4-yl-N,5-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167403132
N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 121241788
N-dibenzofuran-3-yl-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-6-phenyldibenzofuran-4-amine
CID 167397866
N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 168804045
N-[4-(3-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 168805436
N-phenyl-N,5-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167144324
N-(4-dibenzofuran-2-ylphenyl)-5-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167402575
N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]dibenzofuran-3-amine
CID 167143711
N-phenyl-N-[4-[5-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-yl]phenyl]dibenzofuran-1-amine
CID 167144315
N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-8-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 167144371

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine?
The IUPAC name of N-dibenzofuran-3-yl-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine (CID 167144400) is N-dibenzofuran-3-yl-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine?
The canonical SMILES for N-dibenzofuran-3-yl-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3cccc4c3oc3c5ccccc5c(-c5ccccc5)cc43)cc2)cc1.
What is the InChIKey of N-dibenzofuran-3-yl-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine?
The InChIKey is VEDWWGCZUYFNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NO2/c1-3-12-30(13-4-1)31-22-24-33(25-23-31)47(34-26-27-37-36-17-9-10-21-43(36)48-44(37)28-34)42-20-11-19-39-41-29-40(32-14-5-2-6-15-32)35-16-7-8-18-38(35)45(41)49-46(39)42/h1-29H.
What are the key properties of N-dibenzofuran-3-yl-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine?
N-dibenzofuran-3-yl-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-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-3-yl-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine is sourced from PubChem (CID 167144400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).