N-(4-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-amine

C44H27NOS — CID 171738749

IUPACN-(4-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc2c(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3cccc4oc5c6ccccc6ccc5c34)cccc2c1
InChIInChI=1S/C44H27NOS/c1-3-13-32-28(10-1)12-7-18-38(32)45(39-19-9-20-40-42(39)37-27-24-29-11-2-4-14-33(29)43(37)46-40)31-25-22-30(23-26-31)34-16-8-17-36-35-15-5-6-21-41(35)47-44(34)36/h1-27H
InChIKeyVEQZQWUKFIANCX-UHFFFAOYSA-N
MW617.77 g/mol
LogP13.40
Rot. Bonds4

About N-(4-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-amine

N-(4-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 171738749) has the molecular formula C44H27NOS and a molecular weight of 617.77 g/mol. Its IUPAC name is N-(4-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-amine
PubChem CID171738749
Molecular FormulaC44H27NOS
Molecular Weight617.77 g/mol
Exact Mass617.18
IUPAC NameN-(4-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc2c(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3cccc4oc5c6ccccc6ccc5c34)cccc2c1
InChIInChI=1S/C44H27NOS/c1-3-13-32-28(10-1)12-7-18-38(32)45(39-19-9-20-40-42(39)37-27-24-29-11-2-4-14-33(29)43(37)46-40)31-25-22-30(23-26-31)34-16-8-17-36-35-15-5-6-21-41(35)47-44(34)36/h1-27H
InChIKeyVEQZQWUKFIANCX-UHFFFAOYSA-N
XLogP13.40
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.77
LogP ≤ 513.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzofuran-1-yl-N-(4-dibenzothiophen-4-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737320
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737260
N-(4-dibenzothiophen-4-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-phenylaniline
CID 166939738
N-dibenzothiophen-4-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738816
N-(4-dibenzothiophen-4-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167329482
N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 164996776
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 166938730
N-(4-dibenzothiophen-4-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-phenylaniline
CID 163779199
N-dibenzothiophen-3-yl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737995
N-(4-dibenzothiophen-4-ylphenyl)-7-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 170675176
N-dibenzothiophen-3-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738900
N-(2-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739542

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-amine?
The IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-amine (CID 171738749) is N-(4-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-amine.
What is the SMILES notation for N-(4-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-amine?
The canonical SMILES for N-(4-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-amine is c1ccc2c(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3cccc4oc5c6ccccc6ccc5c34)cccc2c1.
What is the InChIKey of N-(4-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-amine?
The InChIKey is VEQZQWUKFIANCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27NOS/c1-3-13-32-28(10-1)12-7-18-38(32)45(39-19-9-20-40-42(39)37-27-24-29-11-2-4-14-33(29)43(37)46-40)31-25-22-30(23-26-31)34-16-8-17-36-35-15-5-6-21-41(35)47-44(34)36/h1-27H.
What are the key properties of N-(4-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-amine?
N-(4-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-amine has a molecular weight of 617.77 g/mol, XLogP of 13.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 171738749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).