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

C46H29NO2 — CID 176765348

IUPACN-phenyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-2-yl)phenyl]dibenzofuran-2-amine
SMILESc1ccc(-c2cc3oc4ccccc4c3c3cc(-c4ccc(N(c5ccccc5)c5ccc6oc7ccccc7c6c5)cc4)ccc23)cc1
InChIInChI=1S/C46H29NO2/c1-3-11-31(12-4-1)39-29-45-46(38-16-8-10-18-43(38)49-45)41-27-32(21-25-36(39)41)30-19-22-34(23-20-30)47(33-13-5-2-6-14-33)35-24-26-44-40(28-35)37-15-7-9-17-42(37)48-44/h1-29H
InChIKeyCDECHTRIDMICQT-UHFFFAOYSA-N
MW627.74 g/mol
LogP13.44
Rot. Bonds5

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

N-phenyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-2-yl)phenyl]dibenzofuran-2-amine (PubChem CID 176765348) has the molecular formula C46H29NO2 and a molecular weight of 627.74 g/mol. Its IUPAC name is N-phenyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-2-yl)phenyl]dibenzofuran-2-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-2-yl)phenyl]dibenzofuran-2-amine
PubChem CID176765348
Molecular FormulaC46H29NO2
Molecular Weight627.74 g/mol
Exact Mass627.22
IUPAC NameN-phenyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-2-yl)phenyl]dibenzofuran-2-amine
SMILESc1ccc(-c2cc3oc4ccccc4c3c3cc(-c4ccc(N(c5ccccc5)c5ccc6oc7ccccc7c6c5)cc4)ccc23)cc1
InChIInChI=1S/C46H29NO2/c1-3-11-31(12-4-1)39-29-45-46(38-16-8-10-18-43(38)49-45)41-27-32(21-25-36(39)41)30-19-22-34(23-20-30)47(33-13-5-2-6-14-33)35-24-26-44-40(28-35)37-15-7-9-17-42(37)48-44/h1-29H
InChIKeyCDECHTRIDMICQT-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

5-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine
CID 176765247
N-dibenzofuran-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
CID 170301400
N-(4-dibenzofuran-2-ylphenyl)-N-phenyldibenzofuran-2-amine
CID 90350985
N-phenyl-N-[4-[5-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-yl]phenyl]naphthalen-2-amine
CID 176765370
N-(4-naphtho[2,1-b][1]benzofuran-5-ylphenyl)-N,4-diphenylaniline
CID 170030744
3-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)aniline
CID 121327922
2-N-dibenzofuran-3-yl-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-2,7-diamine
CID 146576058
8-N-dibenzofuran-3-yl-2-N,8-N-diphenyl-2-N-(4-phenylphenyl)dibenzofuran-2,8-diamine
CID 146576028
N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 118405736
N-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 174245859
N,3,5-triphenyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-3-yl)phenyl]aniline
CID 176765163
N,N-diphenyl-4-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)aniline
CID 176808418

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-2-yl)phenyl]dibenzofuran-2-amine?
The IUPAC name of N-phenyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-2-yl)phenyl]dibenzofuran-2-amine (CID 176765348) is N-phenyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-2-yl)phenyl]dibenzofuran-2-amine.
What is the SMILES notation for N-phenyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-2-yl)phenyl]dibenzofuran-2-amine?
The canonical SMILES for N-phenyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-2-yl)phenyl]dibenzofuran-2-amine is c1ccc(-c2cc3oc4ccccc4c3c3cc(-c4ccc(N(c5ccccc5)c5ccc6oc7ccccc7c6c5)cc4)ccc23)cc1.
What is the InChIKey of N-phenyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-2-yl)phenyl]dibenzofuran-2-amine?
The InChIKey is CDECHTRIDMICQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NO2/c1-3-11-31(12-4-1)39-29-45-46(38-16-8-10-18-43(38)49-45)41-27-32(21-25-36(39)41)30-19-22-34(23-20-30)47(33-13-5-2-6-14-33)35-24-26-44-40(28-35)37-15-7-9-17-42(37)48-44/h1-29H.
What are the key properties of N-phenyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-2-yl)phenyl]dibenzofuran-2-amine?
N-phenyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-2-yl)phenyl]dibenzofuran-2-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[2,1-b][1]benzofuran-2-yl)phenyl]dibenzofuran-2-amine is sourced from PubChem (CID 176765348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).