N,4-diphenyl-N-[4-(6-phenylnaphtho[2,3-b][1]benzofuran-3-yl)phenyl]aniline

C46H31NO — CID 169295813

IUPACN,4-diphenyl-N-[4-(6-phenylnaphtho[2,3-b][1]benzofuran-3-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)oc4c(-c6ccccc6)c6ccccc6cc45)cc3)cc2)cc1
InChIInChI=1S/C46H31NO/c1-4-12-32(13-5-1)33-20-25-39(26-21-33)47(38-17-8-3-9-18-38)40-27-22-34(23-28-40)36-24-29-42-43-30-37-16-10-11-19-41(37)45(35-14-6-2-7-15-35)46(43)48-44(42)31-36/h1-31H
InChIKeyIGGXKSRNYFVHRC-UHFFFAOYSA-N
MW613.76 g/mol
LogP13.21
Rot. Bonds6

About N,4-diphenyl-N-[4-(6-phenylnaphtho[2,3-b][1]benzofuran-3-yl)phenyl]aniline

N,4-diphenyl-N-[4-(6-phenylnaphtho[2,3-b][1]benzofuran-3-yl)phenyl]aniline (PubChem CID 169295813) has the molecular formula C46H31NO and a molecular weight of 613.76 g/mol. Its IUPAC name is N,4-diphenyl-N-[4-(6-phenylnaphtho[2,3-b][1]benzofuran-3-yl)phenyl]aniline.

Molecular Properties

Compound NameN,4-diphenyl-N-[4-(6-phenylnaphtho[2,3-b][1]benzofuran-3-yl)phenyl]aniline
PubChem CID169295813
Molecular FormulaC46H31NO
Molecular Weight613.76 g/mol
Exact Mass613.24
IUPAC NameN,4-diphenyl-N-[4-(6-phenylnaphtho[2,3-b][1]benzofuran-3-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)oc4c(-c6ccccc6)c6ccccc6cc45)cc3)cc2)cc1
InChIInChI=1S/C46H31NO/c1-4-12-32(13-5-1)33-20-25-39(26-21-33)47(38-17-8-3-9-18-38)40-27-22-34(23-28-40)36-24-29-42-43-30-37-16-10-11-19-41(37)45(35-14-6-2-7-15-35)46(43)48-44(42)31-36/h1-31H
InChIKeyIGGXKSRNYFVHRC-UHFFFAOYSA-N
XLogP13.21
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.76
LogP ≤ 513.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diphenyl-4-[4-[6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-yl]phenyl]aniline
CID 169295916
N-[4-[3-[4-(1,3-benzoxazol-2-yl)phenyl]naphtho[2,3-b][1]benzofuran-6-yl]phenyl]-N,4-diphenylaniline
CID 171755420
4-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-6-yl]-N,N-diphenylaniline
CID 170211894
6-naphthalen-2-yl-N,N-diphenylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169295404
N,4-diphenyl-N-[4-(6-phenylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]aniline
CID 169296331
N,N-diphenyl-4-[4-[6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]phenyl]aniline
CID 169295391
N,6-bis(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169295352
6-dibenzofuran-4-yl-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169296391
N,4-diphenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]aniline
CID 167143448
6-[7-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[2,3-b][1]benzofuran
CID 122425709
N,N-diphenyl-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-2-amine
CID 169295558
3-(10-naphthalen-2-ylanthracen-9-yl)-6-phenylnaphtho[2,3-b][1]benzofuran
CID 134487576

Frequently Asked Questions

What is the IUPAC name of N,4-diphenyl-N-[4-(6-phenylnaphtho[2,3-b][1]benzofuran-3-yl)phenyl]aniline?
The IUPAC name of N,4-diphenyl-N-[4-(6-phenylnaphtho[2,3-b][1]benzofuran-3-yl)phenyl]aniline (CID 169295813) is N,4-diphenyl-N-[4-(6-phenylnaphtho[2,3-b][1]benzofuran-3-yl)phenyl]aniline.
What is the SMILES notation for N,4-diphenyl-N-[4-(6-phenylnaphtho[2,3-b][1]benzofuran-3-yl)phenyl]aniline?
The canonical SMILES for N,4-diphenyl-N-[4-(6-phenylnaphtho[2,3-b][1]benzofuran-3-yl)phenyl]aniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)oc4c(-c6ccccc6)c6ccccc6cc45)cc3)cc2)cc1.
What is the InChIKey of N,4-diphenyl-N-[4-(6-phenylnaphtho[2,3-b][1]benzofuran-3-yl)phenyl]aniline?
The InChIKey is IGGXKSRNYFVHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31NO/c1-4-12-32(13-5-1)33-20-25-39(26-21-33)47(38-17-8-3-9-18-38)40-27-22-34(23-28-40)36-24-29-42-43-30-37-16-10-11-19-41(37)45(35-14-6-2-7-15-35)46(43)48-44(42)31-36/h1-31H.
What are the key properties of N,4-diphenyl-N-[4-(6-phenylnaphtho[2,3-b][1]benzofuran-3-yl)phenyl]aniline?
N,4-diphenyl-N-[4-(6-phenylnaphtho[2,3-b][1]benzofuran-3-yl)phenyl]aniline has a molecular weight of 613.76 g/mol, XLogP of 13.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diphenyl-N-[4-(6-phenylnaphtho[2,3-b][1]benzofuran-3-yl)phenyl]aniline is sourced from PubChem (CID 169295813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).