N-dibenzofuran-3-yl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine

C142H91N3O2S3 — CID 159197294

IUPACN-dibenzofuran-3-yl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine
SMILESc1ccc(-c2cc(-c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4ccc5c(c4)oc4ccccc45)cc3)c3ccccc3c2)cc1.c1ccc(-c2cc(-c3ccc(N(c4ccc5c(c4)sc4ccccc45)c4ccc5c(c4)sc4ccccc45)cc3)c3ccccc3c2)cc1.c1ccc(-c2ccc3ccccc3c2-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4c(c3)sc3ccccc34)cc2)cc1
InChIInChI=1S/C50H33NS.C46H29NO2.C46H29NS2/c1-2-11-35(12-3-1)45-31-25-36-14-5-7-17-44(36)50(45)38-23-28-40(29-24-38)51(41-30-32-47-46-18-8-9-20-48(46)52-49(47)33-41)39-26-21-37(22-27-39)43-19-10-15-34-13-4-6-16-42(34)43;2*1-2-10-30(11-3-1)33-26-32-12-4-5-13-37(32)42(27-33)31-18-20-34(21-19-31)47(35-22-24-40-38-14-6-8-16-43(38)48-45(40)28-35)36-23-25-41-39-15-7-9-17-44(39)49-46(41)29-36/h1-33H;2*1-29H
InChIKeyKOVCXIFXYZLVPR-UHFFFAOYSA-N
MW1967.51 g/mol
LogP42.65
Rot. Bonds16

About N-dibenzofuran-3-yl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine

N-dibenzofuran-3-yl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine (PubChem CID 159197294) has the molecular formula C142H91N3O2S3 and a molecular weight of 1967.51 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine
PubChem CID159197294
Molecular FormulaC142H91N3O2S3
Molecular Weight1967.51 g/mol
Exact Mass1965.63
IUPAC NameN-dibenzofuran-3-yl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine
SMILESc1ccc(-c2cc(-c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4ccc5c(c4)oc4ccccc45)cc3)c3ccccc3c2)cc1.c1ccc(-c2cc(-c3ccc(N(c4ccc5c(c4)sc4ccccc45)c4ccc5c(c4)sc4ccccc45)cc3)c3ccccc3c2)cc1.c1ccc(-c2ccc3ccccc3c2-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4c(c3)sc3ccccc34)cc2)cc1
InChIInChI=1S/C50H33NS.C46H29NO2.C46H29NS2/c1-2-11-35(12-3-1)45-31-25-36-14-5-7-17-44(36)50(45)38-23-28-40(29-24-38)51(41-30-32-47-46-18-8-9-20-48(46)52-49(47)33-41)39-26-21-37(22-27-39)43-19-10-15-34-13-4-6-16-42(34)43;2*1-2-10-30(11-3-1)33-26-32-12-4-5-13-37(32)42(27-33)31-18-20-34(21-19-31)47(35-22-24-40-38-14-6-8-16-43(38)48-45(40)28-35)36-23-25-41-39-15-7-9-17-44(39)49-46(41)29-36/h1-33H;2*1-29H
InChIKeyKOVCXIFXYZLVPR-UHFFFAOYSA-N
XLogP42.65
TPSA36.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms150
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001967.51
LogP ≤ 542.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-dibenzofuran-3-yl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine with MolForge

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine
CID 139352524
N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-3-amine
CID 177128411
N-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)dibenzothiophen-3-amine
CID 170031524
N-(4-chrysen-2-ylphenyl)-N-dibenzothiophen-3-yldibenzofuran-3-amine
CID 170137660
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
N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine
CID 139355163
N-[4-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176588207
N-(3-dibenzothiophen-4-yl-4-phenylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine;N-(3-dibenzothiophen-4-yl-4-phenylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine;N-(3-dibenzothiophen-4-yl-4-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 161239323
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-(5-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 139352842
N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 139363157
N-dibenzothiophen-3-yl-N-[3-(3-naphthalen-1-ylphenyl)phenyl]dibenzofuran-3-amine
CID 168846117

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine?
The IUPAC name of N-dibenzofuran-3-yl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine (CID 159197294) is N-dibenzofuran-3-yl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine?
The canonical SMILES for N-dibenzofuran-3-yl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine is c1ccc(-c2cc(-c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4ccc5c(c4)oc4ccccc45)cc3)c3ccccc3c2)cc1.c1ccc(-c2cc(-c3ccc(N(c4ccc5c(c4)sc4ccccc45)c4ccc5c(c4)sc4ccccc45)cc3)c3ccccc3c2)cc1.c1ccc(-c2ccc3ccccc3c2-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4c(c3)sc3ccccc34)cc2)cc1.
What is the InChIKey of N-dibenzofuran-3-yl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine?
The InChIKey is KOVCXIFXYZLVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33NS.C46H29NO2.C46H29NS2/c1-2-11-35(12-3-1)45-31-25-36-14-5-7-17-44(36)50(45)38-23-28-40(29-24-38)51(41-30-32-47-46-18-8-9-20-48(46)52-49(47)33-41)39-26-21-37(22-27-39)43-19-10-15-34-13-4-6-16-42(34)43;2*1-2-10-30(11-3-1)33-26-32-12-4-5-13-37(32)42(27-33)31-18-20-34(21-19-31)47(35-22-24-40-38-14-6-8-16-43(38)48-45(40)28-35)36-23-25-41-39-15-7-9-17-44(39)49-46(41)29-36/h1-33H;2*1-29H.
What are the key properties of N-dibenzofuran-3-yl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine?
N-dibenzofuran-3-yl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine has a molecular weight of 1967.51 g/mol, XLogP of 42.65, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine is sourced from PubChem (CID 159197294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).