1-N-dibenzofuran-3-yl-6-N,6-N-diphenyl-1-N-(4-phenylphenyl)dibenzothiophene-1,6-diamine;1-N-dibenzofuran-3-yl-1-N-(4-naphthalen-2-ylphenyl)-6-N,6-N-diphenyldibenzothiophene-1,6-diamine

C100H66N4O2S2 — CID 158546525

IUPAC1-N-dibenzofuran-3-yl-6-N,6-N-diphenyl-1-N-(4-phenylphenyl)dibenzothiophene-1,6-diamine;1-N-dibenzofuran-3-yl-1-N-(4-naphthalen-2-ylphenyl)-6-N,6-N-diphenyldibenzothiophene-1,6-diamine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3cccc4sc5c(N(c6ccccc6)c6ccccc6)cccc5c34)cc2)cc1.c1ccc(N(c2ccccc2)c2cccc3c2sc2cccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc5c(c4)oc4ccccc45)c23)cc1
InChIInChI=1S/C52H34N2OS.C48H32N2OS/c1-3-15-39(16-4-1)53(40-17-5-2-6-18-40)47-22-11-20-45-51-46(21-12-24-50(51)56-52(45)47)54(42-31-32-44-43-19-9-10-23-48(43)55-49(44)34-42)41-29-27-36(28-30-41)38-26-25-35-13-7-8-14-37(35)33-38;1-4-14-33(15-5-1)34-26-28-37(29-27-34)50(38-30-31-40-39-20-10-11-24-44(39)51-45(40)32-38)42-22-13-25-46-47(42)41-21-12-23-43(48(41)52-46)49(35-16-6-2-7-17-35)36-18-8-3-9-19-36/h1-34H;1-32H
InChIKeyHPEIJDADSMTTSH-UHFFFAOYSA-N
MW1419.79 g/mol
LogP30.27
Rot. Bonds14

About 1-N-dibenzofuran-3-yl-6-N,6-N-diphenyl-1-N-(4-phenylphenyl)dibenzothiophene-1,6-diamine;1-N-dibenzofuran-3-yl-1-N-(4-naphthalen-2-ylphenyl)-6-N,6-N-diphenyldibenzothiophene-1,6-diamine

1-N-dibenzofuran-3-yl-6-N,6-N-diphenyl-1-N-(4-phenylphenyl)dibenzothiophene-1,6-diamine;1-N-dibenzofuran-3-yl-1-N-(4-naphthalen-2-ylphenyl)-6-N,6-N-diphenyldibenzothiophene-1,6-diamine (PubChem CID 158546525) has the molecular formula C100H66N4O2S2 and a molecular weight of 1419.79 g/mol. Its IUPAC name is 1-N-dibenzofuran-3-yl-6-N,6-N-diphenyl-1-N-(4-phenylphenyl)dibenzothiophene-1,6-diamine;1-N-dibenzofuran-3-yl-1-N-(4-naphthalen-2-ylphenyl)-6-N,6-N-diphenyldibenzothiophene-1,6-diamine.

Molecular Properties

Compound Name1-N-dibenzofuran-3-yl-6-N,6-N-diphenyl-1-N-(4-phenylphenyl)dibenzothiophene-1,6-diamine;1-N-dibenzofuran-3-yl-1-N-(4-naphthalen-2-ylphenyl)-6-N,6-N-diphenyldibenzothiophene-1,6-diamine
PubChem CID158546525
Molecular FormulaC100H66N4O2S2
Molecular Weight1419.79 g/mol
Exact Mass1418.46
IUPAC Name1-N-dibenzofuran-3-yl-6-N,6-N-diphenyl-1-N-(4-phenylphenyl)dibenzothiophene-1,6-diamine;1-N-dibenzofuran-3-yl-1-N-(4-naphthalen-2-ylphenyl)-6-N,6-N-diphenyldibenzothiophene-1,6-diamine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3cccc4sc5c(N(c6ccccc6)c6ccccc6)cccc5c34)cc2)cc1.c1ccc(N(c2ccccc2)c2cccc3c2sc2cccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc5c(c4)oc4ccccc45)c23)cc1
InChIInChI=1S/C52H34N2OS.C48H32N2OS/c1-3-15-39(16-4-1)53(40-17-5-2-6-18-40)47-22-11-20-45-51-46(21-12-24-50(51)56-52(45)47)54(42-31-32-44-43-19-9-10-23-48(43)55-49(44)34-42)41-29-27-36(28-30-41)38-26-25-35-13-7-8-14-37(35)33-38;1-4-14-33(15-5-1)34-26-28-37(29-27-34)50(38-30-31-40-39-20-10-11-24-44(39)51-45(40)32-38)42-22-13-25-46-47(42)41-21-12-23-43(48(41)52-46)49(35-16-6-2-7-17-35)36-18-8-3-9-19-36/h1-34H;1-32H
InChIKeyHPEIJDADSMTTSH-UHFFFAOYSA-N
XLogP30.27
TPSA39.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001419.79
LogP ≤ 530.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-N-dibenzofuran-3-yl-6-N,6-N-diphenyl-1-N-(4-phenylphenyl)dibenzothiophene-1,6-diamine;1-N-dibenzofuran-3-yl-1-N-(4-naphthalen-2-ylphenyl)-6-N,6-N-diphenyldibenzothiophene-1,6-diamine with MolForge

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Related Compounds

7-N-dibenzofuran-3-yl-7-N-(4-naphthalen-2-ylphenyl)-1-N,1-N-diphenyldibenzothiophene-1,7-diamine
CID 146574115
N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167325717
N-(3-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)dibenzothiophen-4-amine
CID 164955404
8-N-dibenzofuran-3-yl-8-N-(4-naphthalen-2-ylphenyl)-1-N,1-N-diphenyldibenzofuran-1,8-diamine
CID 146573619
1-N-dibenzofuran-3-yl-7-N,7-N-diphenyl-1-N-(4-phenylphenyl)dibenzothiophene-1,7-diamine
CID 146574153
N-[3-[3-[dibenzofuran-3-yl(dibenzothiophen-4-yl)amino]phenyl]phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 167086280
N-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 163775323
N-dibenzothiophen-4-yl-N-[4-(6-phenylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine
CID 154605749
N-dibenzothiophen-4-yl-N-[3-(5-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine
CID 154605494
N-dibenzothiophen-4-yl-N-(7-phenylphenanthren-2-yl)dibenzofuran-2-amine
CID 163425297
N-naphthalen-1-yl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]dibenzofuran-3-amine
CID 174256131
N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 174322209

Frequently Asked Questions

What is the IUPAC name of 1-N-dibenzofuran-3-yl-6-N,6-N-diphenyl-1-N-(4-phenylphenyl)dibenzothiophene-1,6-diamine;1-N-dibenzofuran-3-yl-1-N-(4-naphthalen-2-ylphenyl)-6-N,6-N-diphenyldibenzothiophene-1,6-diamine?
The IUPAC name of 1-N-dibenzofuran-3-yl-6-N,6-N-diphenyl-1-N-(4-phenylphenyl)dibenzothiophene-1,6-diamine;1-N-dibenzofuran-3-yl-1-N-(4-naphthalen-2-ylphenyl)-6-N,6-N-diphenyldibenzothiophene-1,6-diamine (CID 158546525) is 1-N-dibenzofuran-3-yl-6-N,6-N-diphenyl-1-N-(4-phenylphenyl)dibenzothiophene-1,6-diamine;1-N-dibenzofuran-3-yl-1-N-(4-naphthalen-2-ylphenyl)-6-N,6-N-diphenyldibenzothiophene-1,6-diamine.
What is the SMILES notation for 1-N-dibenzofuran-3-yl-6-N,6-N-diphenyl-1-N-(4-phenylphenyl)dibenzothiophene-1,6-diamine;1-N-dibenzofuran-3-yl-1-N-(4-naphthalen-2-ylphenyl)-6-N,6-N-diphenyldibenzothiophene-1,6-diamine?
The canonical SMILES for 1-N-dibenzofuran-3-yl-6-N,6-N-diphenyl-1-N-(4-phenylphenyl)dibenzothiophene-1,6-diamine;1-N-dibenzofuran-3-yl-1-N-(4-naphthalen-2-ylphenyl)-6-N,6-N-diphenyldibenzothiophene-1,6-diamine is c1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3cccc4sc5c(N(c6ccccc6)c6ccccc6)cccc5c34)cc2)cc1.c1ccc(N(c2ccccc2)c2cccc3c2sc2cccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc5c(c4)oc4ccccc45)c23)cc1.
What is the InChIKey of 1-N-dibenzofuran-3-yl-6-N,6-N-diphenyl-1-N-(4-phenylphenyl)dibenzothiophene-1,6-diamine;1-N-dibenzofuran-3-yl-1-N-(4-naphthalen-2-ylphenyl)-6-N,6-N-diphenyldibenzothiophene-1,6-diamine?
The InChIKey is HPEIJDADSMTTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2OS.C48H32N2OS/c1-3-15-39(16-4-1)53(40-17-5-2-6-18-40)47-22-11-20-45-51-46(21-12-24-50(51)56-52(45)47)54(42-31-32-44-43-19-9-10-23-48(43)55-49(44)34-42)41-29-27-36(28-30-41)38-26-25-35-13-7-8-14-37(35)33-38;1-4-14-33(15-5-1)34-26-28-37(29-27-34)50(38-30-31-40-39-20-10-11-24-44(39)51-45(40)32-38)42-22-13-25-46-47(42)41-21-12-23-43(48(41)52-46)49(35-16-6-2-7-17-35)36-18-8-3-9-19-36/h1-34H;1-32H.
What are the key properties of 1-N-dibenzofuran-3-yl-6-N,6-N-diphenyl-1-N-(4-phenylphenyl)dibenzothiophene-1,6-diamine;1-N-dibenzofuran-3-yl-1-N-(4-naphthalen-2-ylphenyl)-6-N,6-N-diphenyldibenzothiophene-1,6-diamine?
1-N-dibenzofuran-3-yl-6-N,6-N-diphenyl-1-N-(4-phenylphenyl)dibenzothiophene-1,6-diamine;1-N-dibenzofuran-3-yl-1-N-(4-naphthalen-2-ylphenyl)-6-N,6-N-diphenyldibenzothiophene-1,6-diamine has a molecular weight of 1419.79 g/mol, XLogP of 30.27, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-dibenzofuran-3-yl-6-N,6-N-diphenyl-1-N-(4-phenylphenyl)dibenzothiophene-1,6-diamine;1-N-dibenzofuran-3-yl-1-N-(4-naphthalen-2-ylphenyl)-6-N,6-N-diphenyldibenzothiophene-1,6-diamine is sourced from PubChem (CID 158546525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).