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

C50H31NOS — CID 170032627

IUPACN-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)dibenzothiophen-4-amine
SMILESc1ccc2c(-c3ccc(N(c4ccc(-c5cccc6c5ccc5oc7ccccc7c56)cc4)c4cccc5c4sc4ccccc45)cc3)cccc2c1
InChIInChI=1S/C50H31NOS/c1-2-12-37-32(10-1)11-7-15-38(37)33-22-26-35(27-23-33)51(45-19-9-18-43-41-13-4-6-21-48(41)53-50(43)45)36-28-24-34(25-29-36)39-16-8-17-42-40(39)30-31-47-49(42)44-14-3-5-20-46(44)52-47/h1-31H
InChIKeyTVUOBLTWFCGWHE-UHFFFAOYSA-N
MW693.87 g/mol
LogP15.06
Rot. Bonds5

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

N-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)dibenzothiophen-4-amine (PubChem CID 170032627) 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-4-ylphenyl)dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)dibenzothiophen-4-amine
PubChem CID170032627
Molecular FormulaC50H31NOS
Molecular Weight693.87 g/mol
Exact Mass693.21
IUPAC NameN-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)dibenzothiophen-4-amine
SMILESc1ccc2c(-c3ccc(N(c4ccc(-c5cccc6c5ccc5oc7ccccc7c56)cc4)c4cccc5c4sc4ccccc45)cc3)cccc2c1
InChIInChI=1S/C50H31NOS/c1-2-12-37-32(10-1)11-7-15-38(37)33-22-26-35(27-23-33)51(45-19-9-18-43-41-13-4-6-21-48(41)53-50(43)45)36-28-24-34(25-29-36)39-16-8-17-42-40(39)30-31-47-49(42)44-14-3-5-20-46(44)52-47/h1-31H
InChIKeyTVUOBLTWFCGWHE-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

Analyze N-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)dibenzothiophen-4-amine with MolForge

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Related Compounds

7-dibenzofuran-2-yl-N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-4-amine
CID 138718857
N,N-bis(4-naphthalen-1-ylphenyl)-8-phenylphenanthren-1-amine;N-(4-naphthalen-1-ylphenyl)-N-(8-phenylphenanthren-1-yl)dibenzofuran-3-amine;N-(4-naphthalen-1-ylphenyl)-N-(8-phenylphenanthren-1-yl)dibenzothiophen-4-amine;N-(4-naphthalen-1-ylphenyl)-8-phenyl-N-(4-phenylphenyl)phenanthren-1-amine
CID 157163450
N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-4-amine
CID 138718869
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-phenyldibenzothiophen-4-amine
CID 170031914
7-N-dibenzofuran-3-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-2-N-(4-naphthalen-1-ylphenyl)-2-N-phenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzothiophen-4-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 167608369
N-(4-dibenzofuran-1-ylphenyl)-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-4-amine
CID 167234327
N-dibenzothiophen-4-yl-N-[3-(5-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine
CID 154605494
N-dibenzothiophen-4-yl-N-[4-(9-oxa-14-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-19-yl)phenyl]dibenzothiophen-4-amine
CID 153300611
N-dibenzothiophen-4-yl-1-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 177131025
N-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-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-12-amine
CID 158009046
N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 139355171
N-dibenzofuran-1-yl-N-dibenzofuran-3-yl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine;N,N-di(dibenzothiophen-4-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine;N-(4-naphthalen-1-ylphenyl)-N-naphtho[2,1-b][1]benzofuran-9-yl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine;N-naphtho[1,2-b][1]benzofuran-10-yl-N-(4-phenylphenyl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine
CID 164998655

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)dibenzothiophen-4-amine?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)dibenzothiophen-4-amine (CID 170032627) is N-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)dibenzothiophen-4-amine.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)dibenzothiophen-4-amine?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)dibenzothiophen-4-amine is c1ccc2c(-c3ccc(N(c4ccc(-c5cccc6c5ccc5oc7ccccc7c56)cc4)c4cccc5c4sc4ccccc45)cc3)cccc2c1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)dibenzothiophen-4-amine?
The InChIKey is TVUOBLTWFCGWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31NOS/c1-2-12-37-32(10-1)11-7-15-38(37)33-22-26-35(27-23-33)51(45-19-9-18-43-41-13-4-6-21-48(41)53-50(43)45)36-28-24-34(25-29-36)39-16-8-17-42-40(39)30-31-47-49(42)44-14-3-5-20-46(44)52-47/h1-31H.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)dibenzothiophen-4-amine?
N-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)dibenzothiophen-4-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-4-ylphenyl)dibenzothiophen-4-amine is sourced from PubChem (CID 170032627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).