N-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)dibenzothiophen-3-amine

C50H31NOS — CID 170032626

IUPACN-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)dibenzothiophen-3-amine
SMILESc1ccc2c(-c3ccc(N(c4ccc(-c5cc6ccccc6c6c5oc5ccccc56)cc4)c4ccc5c(c4)sc4ccccc45)cc3)cccc2c1
InChIInChI=1S/C50H31NOS/c1-3-13-39-32(10-1)12-9-17-40(39)33-20-24-36(25-21-33)51(38-28-29-43-42-15-6-8-19-47(42)53-48(43)31-38)37-26-22-34(23-27-37)45-30-35-11-2-4-14-41(35)49-44-16-5-7-18-46(44)52-50(45)49/h1-31H
InChIKeyRMZNEDJYDFIJCH-UHFFFAOYSA-N
MW693.87 g/mol
LogP15.06
Rot. Bonds5

About N-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)dibenzothiophen-3-amine

N-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)dibenzothiophen-3-amine (PubChem CID 170032626) has the molecular formula C50H31NOS and a molecular weight of 693.87 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)dibenzothiophen-3-amine
PubChem CID170032626
Molecular FormulaC50H31NOS
Molecular Weight693.87 g/mol
Exact Mass693.21
IUPAC NameN-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)dibenzothiophen-3-amine
SMILESc1ccc2c(-c3ccc(N(c4ccc(-c5cc6ccccc6c6c5oc5ccccc56)cc4)c4ccc5c(c4)sc4ccccc45)cc3)cccc2c1
InChIInChI=1S/C50H31NOS/c1-3-13-39-32(10-1)12-9-17-40(39)33-20-24-36(25-21-33)51(38-28-29-43-42-15-6-8-19-47(42)53-48(43)31-38)37-26-22-34(23-27-37)45-30-35-11-2-4-14-41(35)49-44-16-5-7-18-46(44)52-50(45)49/h1-31H
InChIKeyRMZNEDJYDFIJCH-UHFFFAOYSA-N
XLogP15.06
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.87
LogP ≤ 515.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)dibenzothiophen-3-amine
CID 170031524
N-[4-(9,20-dioxapentacyclo[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-phenanthren-9-ylphenyl)dibenzothiophen-3-amine
CID 164974664
N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine
CID 139355163
N-(4-dibenzofuran-4-ylphenyl)-N-phenanthren-3-yldibenzothiophen-3-amine
CID 168809996
N-chrysen-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-3-amine
CID 170130743
N-phenyl-N-[4-[6-(N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]dibenzothiophen-3-amine
CID 166917554
N-dibenzothiophen-3-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738900
N-dibenzothiophen-3-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine
CID 167124695
N-(4-dibenzothiophen-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-1-phenyldibenzofuran-4-amine
CID 171434565
N-(7-dibenzofuran-4-ylphenanthren-2-yl)-N-(4-dibenzofuran-4-ylphenyl)dibenzothiophen-3-amine
CID 164966685
N-(4-dibenzothiophen-3-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-3-amine
CID 166938900
N-(4-naphthalen-1-ylphenyl)-N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine;N-(4-naphthalen-1-ylphenyl)-N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine
CID 160932479

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)dibenzothiophen-3-amine?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)dibenzothiophen-3-amine (CID 170032626) is N-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)dibenzothiophen-3-amine.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)dibenzothiophen-3-amine?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)dibenzothiophen-3-amine is c1ccc2c(-c3ccc(N(c4ccc(-c5cc6ccccc6c6c5oc5ccccc56)cc4)c4ccc5c(c4)sc4ccccc45)cc3)cccc2c1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)dibenzothiophen-3-amine?
The InChIKey is RMZNEDJYDFIJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31NOS/c1-3-13-39-32(10-1)12-9-17-40(39)33-20-24-36(25-21-33)51(38-28-29-43-42-15-6-8-19-47(42)53-48(43)31-38)37-26-22-34(23-27-37)45-30-35-11-2-4-14-41(35)49-44-16-5-7-18-46(44)52-50(45)49/h1-31H.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)dibenzothiophen-3-amine?
N-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)dibenzothiophen-3-amine has a molecular weight of 693.87 g/mol, XLogP of 15.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)dibenzothiophen-3-amine is sourced from PubChem (CID 170032626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).