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

C46H29NO2 — CID 167143711

IUPACN-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2cc3c4cccc(-c5ccc(N(c6ccccc6)c6ccc7c(c6)oc6ccccc67)cc5)c4oc3c3ccccc23)cc1
InChIInChI=1S/C46H29NO2/c1-3-12-30(13-4-1)41-29-42-40-20-11-19-35(45(40)49-46(42)39-18-8-7-16-36(39)41)31-22-24-33(25-23-31)47(32-14-5-2-6-15-32)34-26-27-38-37-17-9-10-21-43(37)48-44(38)28-34/h1-29H
InChIKeyWJSGGTFBNBBSPU-UHFFFAOYSA-N
MW627.74 g/mol
LogP13.44
Rot. Bonds5

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

N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]dibenzofuran-3-amine (PubChem CID 167143711) has the molecular formula C46H29NO2 and a molecular weight of 627.74 g/mol. Its IUPAC name is N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]dibenzofuran-3-amine
PubChem CID167143711
Molecular FormulaC46H29NO2
Molecular Weight627.74 g/mol
Exact Mass627.22
IUPAC NameN-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2cc3c4cccc(-c5ccc(N(c6ccccc6)c6ccc7c(c6)oc6ccccc67)cc5)c4oc3c3ccccc23)cc1
InChIInChI=1S/C46H29NO2/c1-3-12-30(13-4-1)41-29-42-40-20-11-19-35(45(40)49-46(42)39-18-8-7-16-36(39)41)31-22-24-33(25-23-31)47(32-14-5-2-6-15-32)34-26-27-38-37-17-9-10-21-43(37)48-44(38)28-34/h1-29H
InChIKeyWJSGGTFBNBBSPU-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-[4-(6-phenyldibenzofuran-4-yl)phenyl]dibenzofuran-3-amine
CID 121296704
4-dibenzofuran-4-yl-N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]aniline
CID 167143311
N-dibenzofuran-3-yl-N,5-diphenylnaphtho[1,2-b][1]benzofuran-10-amine
CID 167144409
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-3-amine
CID 70808580
N,4-diphenyl-N-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]aniline
CID 167402762
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
N-[4-[10-(4-phenylcyclohexa-1,3-dien-1-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 167143336
N-[4-(4,6-diphenyldibenzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 148657680
N-(4-dibenzofuran-1-ylphenyl)-N-naphthalen-2-yl-5-phenylnaphtho[1,2-b][1]benzofuran-9-amine
CID 167402833
N-dibenzofuran-3-yl-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-6-phenyldibenzofuran-4-amine
CID 167397866
7-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 168805484

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]dibenzofuran-3-amine?
The IUPAC name of N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]dibenzofuran-3-amine (CID 167143711) is N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]dibenzofuran-3-amine is c1ccc(-c2cc3c4cccc(-c5ccc(N(c6ccccc6)c6ccc7c(c6)oc6ccccc67)cc5)c4oc3c3ccccc23)cc1.
What is the InChIKey of N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]dibenzofuran-3-amine?
The InChIKey is WJSGGTFBNBBSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NO2/c1-3-12-30(13-4-1)41-29-42-40-20-11-19-35(45(40)49-46(42)39-18-8-7-16-36(39)41)31-22-24-33(25-23-31)47(32-14-5-2-6-15-32)34-26-27-38-37-17-9-10-21-43(37)48-44(38)28-34/h1-29H.
What are the key properties of N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]dibenzofuran-3-amine?
N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]dibenzofuran-3-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-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 167143711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).