N-(4-dibenzothiophen-3-ylphenyl)dibenzofuran-2-amine;N-(4-methoxyphenyl)-4-phenylaniline;N-phenylnaphtho[2,3-b][1]benzofuran-3-amine

C71H51N3O3S — CID 158168846

IUPACN-(4-dibenzothiophen-3-ylphenyl)dibenzofuran-2-amine;N-(4-methoxyphenyl)-4-phenylaniline;N-phenylnaphtho[2,3-b][1]benzofuran-3-amine
SMILESCOc1ccc(Nc2ccc(-c3ccccc3)cc2)cc1.c1ccc(Nc2ccc3c(c2)oc2cc4ccccc4cc23)cc1.c1ccc2c(c1)oc1ccc(Nc3ccc(-c4ccc5c(c4)sc4ccccc45)cc3)cc12
InChIInChI=1S/C30H19NOS.C22H15NO.C19H17NO/c1-3-7-27-23(5-1)26-18-22(14-16-28(26)32-27)31-21-12-9-19(10-13-21)20-11-15-25-24-6-2-4-8-29(24)33-30(25)17-20;1-2-8-17(9-3-1)23-18-10-11-19-20-12-15-6-4-5-7-16(15)13-21(20)24-22(19)14-18;1-21-19-13-11-18(12-14-19)20-17-9-7-16(8-10-17)15-5-3-2-4-6-15/h1-18,31H;1-14,23H;2-14,20H,1H3
InChIKeyFXESVUXKZZVCON-UHFFFAOYSA-N
MW1026.27 g/mol
LogP20.95
Rot. Bonds9

About N-(4-dibenzothiophen-3-ylphenyl)dibenzofuran-2-amine;N-(4-methoxyphenyl)-4-phenylaniline;N-phenylnaphtho[2,3-b][1]benzofuran-3-amine

N-(4-dibenzothiophen-3-ylphenyl)dibenzofuran-2-amine;N-(4-methoxyphenyl)-4-phenylaniline;N-phenylnaphtho[2,3-b][1]benzofuran-3-amine (PubChem CID 158168846) has the molecular formula C71H51N3O3S and a molecular weight of 1026.27 g/mol. Its IUPAC name is N-(4-dibenzothiophen-3-ylphenyl)dibenzofuran-2-amine;N-(4-methoxyphenyl)-4-phenylaniline;N-phenylnaphtho[2,3-b][1]benzofuran-3-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-3-ylphenyl)dibenzofuran-2-amine;N-(4-methoxyphenyl)-4-phenylaniline;N-phenylnaphtho[2,3-b][1]benzofuran-3-amine
PubChem CID158168846
Molecular FormulaC71H51N3O3S
Molecular Weight1026.27 g/mol
Exact Mass1025.37
IUPAC NameN-(4-dibenzothiophen-3-ylphenyl)dibenzofuran-2-amine;N-(4-methoxyphenyl)-4-phenylaniline;N-phenylnaphtho[2,3-b][1]benzofuran-3-amine
SMILESCOc1ccc(Nc2ccc(-c3ccccc3)cc2)cc1.c1ccc(Nc2ccc3c(c2)oc2cc4ccccc4cc23)cc1.c1ccc2c(c1)oc1ccc(Nc3ccc(-c4ccc5c(c4)sc4ccccc45)cc3)cc12
InChIInChI=1S/C30H19NOS.C22H15NO.C19H17NO/c1-3-7-27-23(5-1)26-18-22(14-16-28(26)32-27)31-21-12-9-19(10-13-21)20-11-15-25-24-6-2-4-8-29(24)33-30(25)17-20;1-2-8-17(9-3-1)23-18-10-11-19-20-12-15-6-4-5-7-16(15)13-21(20)24-22(19)14-18;1-21-19-13-11-18(12-14-19)20-17-9-7-16(8-10-17)15-5-3-2-4-6-15/h1-18,31H;1-14,23H;2-14,20H,1H3
InChIKeyFXESVUXKZZVCON-UHFFFAOYSA-N
XLogP20.95
TPSA71.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001026.27
LogP ≤ 520.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-(4-dibenzothiophen-3-ylphenyl)dibenzofuran-2-amine;N-(4-methoxyphenyl)-4-phenylaniline;N-phenylnaphtho[2,3-b][1]benzofuran-3-amine with MolForge

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Related Compounds

N-dibenzofuran-2-yldibenzofuran-3-amine;N-naphthalen-1-yldibenzothiophen-3-amine;N-phenyldibenzothiophen-2-amine;N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 157309066
N-naphtho[2,3-b][1]benzothiol-2-ylnaphtho[2,3-b][1]benzofuran-2-amine
CID 166918071
7-N-dibenzofuran-2-yl-2-N-phenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 131980025
N-dibenzofuran-2-yldibenzofuran-3-amine;ethane
CID 145077285
8-N-dibenzothiophen-3-yl-2-N,8-N-diphenyldibenzofuran-2,8-diamine
CID 129194325
2-[8-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 171597450
7-dibenzothiophen-2-yl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17,19,21-undecaene
CID 153303323
2-(dibenzofuran-2-ylmethyl)dibenzofuran;4-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)aniline;2-(dibenzothiophen-2-ylmethyl)dibenzothiophene;N-(4-methoxyphenyl)-9,9-diphenylfluoren-2-amine;2-(naphthalen-1-ylmethyl)dibenzothiophene;2-[(4-phenylphenyl)methyl]dibenzofuran;2-[3-[(4-phenylphenyl)methyl]phenyl]dibenzothiophene
CID 163460209
2-(4-dibenzofuran-3-ylphenyl)-4-dibenzothiophen-3-yl-6-(3-phenylphenyl)-1,3,5-triazine
CID 168850276
2-(3-dibenzothiophen-3-ylphenyl)-4-(5-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 168730357
2-dibenzofuran-3-yl-4-dibenzothiophen-3-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 154934275
2-(3-dibenzofuran-3-yl-5-phenylphenyl)-4-dibenzothiophen-3-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 146640504

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-3-ylphenyl)dibenzofuran-2-amine;N-(4-methoxyphenyl)-4-phenylaniline;N-phenylnaphtho[2,3-b][1]benzofuran-3-amine?
The IUPAC name of N-(4-dibenzothiophen-3-ylphenyl)dibenzofuran-2-amine;N-(4-methoxyphenyl)-4-phenylaniline;N-phenylnaphtho[2,3-b][1]benzofuran-3-amine (CID 158168846) is N-(4-dibenzothiophen-3-ylphenyl)dibenzofuran-2-amine;N-(4-methoxyphenyl)-4-phenylaniline;N-phenylnaphtho[2,3-b][1]benzofuran-3-amine.
What is the SMILES notation for N-(4-dibenzothiophen-3-ylphenyl)dibenzofuran-2-amine;N-(4-methoxyphenyl)-4-phenylaniline;N-phenylnaphtho[2,3-b][1]benzofuran-3-amine?
The canonical SMILES for N-(4-dibenzothiophen-3-ylphenyl)dibenzofuran-2-amine;N-(4-methoxyphenyl)-4-phenylaniline;N-phenylnaphtho[2,3-b][1]benzofuran-3-amine is COc1ccc(Nc2ccc(-c3ccccc3)cc2)cc1.c1ccc(Nc2ccc3c(c2)oc2cc4ccccc4cc23)cc1.c1ccc2c(c1)oc1ccc(Nc3ccc(-c4ccc5c(c4)sc4ccccc45)cc3)cc12.
What is the InChIKey of N-(4-dibenzothiophen-3-ylphenyl)dibenzofuran-2-amine;N-(4-methoxyphenyl)-4-phenylaniline;N-phenylnaphtho[2,3-b][1]benzofuran-3-amine?
The InChIKey is FXESVUXKZZVCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19NOS.C22H15NO.C19H17NO/c1-3-7-27-23(5-1)26-18-22(14-16-28(26)32-27)31-21-12-9-19(10-13-21)20-11-15-25-24-6-2-4-8-29(24)33-30(25)17-20;1-2-8-17(9-3-1)23-18-10-11-19-20-12-15-6-4-5-7-16(15)13-21(20)24-22(19)14-18;1-21-19-13-11-18(12-14-19)20-17-9-7-16(8-10-17)15-5-3-2-4-6-15/h1-18,31H;1-14,23H;2-14,20H,1H3.
What are the key properties of N-(4-dibenzothiophen-3-ylphenyl)dibenzofuran-2-amine;N-(4-methoxyphenyl)-4-phenylaniline;N-phenylnaphtho[2,3-b][1]benzofuran-3-amine?
N-(4-dibenzothiophen-3-ylphenyl)dibenzofuran-2-amine;N-(4-methoxyphenyl)-4-phenylaniline;N-phenylnaphtho[2,3-b][1]benzofuran-3-amine has a molecular weight of 1026.27 g/mol, XLogP of 20.95, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-3-ylphenyl)dibenzofuran-2-amine;N-(4-methoxyphenyl)-4-phenylaniline;N-phenylnaphtho[2,3-b][1]benzofuran-3-amine is sourced from PubChem (CID 158168846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).