7-N-dibenzothiophen-3-yl-2-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzofuran-2,7-diamine;7-N-dibenzothiophen-3-yl-7-N-(4-naphthalen-2-ylphenyl)-3-N,3-N-diphenyldibenzofuran-3,7-diamine;7-N-dibenzothiophen-3-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine

C142H94N6O3S3 — CID 158872648

IUPAC7-N-dibenzothiophen-3-yl-2-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzofuran-2,7-diamine;7-N-dibenzothiophen-3-yl-7-N-(4-naphthalen-2-ylphenyl)-3-N,3-N-diphenyldibenzofuran-3,7-diamine;7-N-dibenzothiophen-3-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4oc5cc(N(c6ccccc6)c6ccc7c(c6)sc6ccccc67)ccc5c4c3)cc2)cc1.c1ccc(N(c2ccc3c(c2)oc2ccc(N(c4ccccc4)c4ccccc4)cc23)c2ccc3c(c2)sc2ccccc23)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)oc2cc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc5c(c4)sc4ccccc45)ccc23)cc1
InChIInChI=1S/C52H34N2OS.C48H32N2OS.C42H28N2OS/c1-3-13-39(14-4-1)53(40-15-5-2-6-16-40)42-25-28-45-46-29-26-43(33-50(46)55-49(45)32-42)54(44-27-30-48-47-17-9-10-18-51(47)56-52(48)34-44)41-23-21-36(22-24-41)38-20-19-35-11-7-8-12-37(35)31-38;1-4-12-33(13-5-1)34-20-22-37(23-21-34)49(35-14-6-2-7-15-35)38-26-29-45-44(30-38)41-27-24-39(31-46(41)51-45)50(36-16-8-3-9-17-36)40-25-28-43-42-18-10-11-19-47(42)52-48(43)32-40;1-4-12-29(13-5-1)43(30-14-6-2-7-15-30)32-22-25-39-38(26-32)35-23-20-33(27-40(35)45-39)44(31-16-8-3-9-17-31)34-21-24-37-36-18-10-11-19-41(36)46-42(37)28-34/h1-34H;1-32H;1-28H
InChIKeyJCAPEILOVJLWCU-UHFFFAOYSA-N
MW2028.55 g/mol
LogP43.17
Rot. Bonds20

About 7-N-dibenzothiophen-3-yl-2-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzofuran-2,7-diamine;7-N-dibenzothiophen-3-yl-7-N-(4-naphthalen-2-ylphenyl)-3-N,3-N-diphenyldibenzofuran-3,7-diamine;7-N-dibenzothiophen-3-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine

7-N-dibenzothiophen-3-yl-2-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzofuran-2,7-diamine;7-N-dibenzothiophen-3-yl-7-N-(4-naphthalen-2-ylphenyl)-3-N,3-N-diphenyldibenzofuran-3,7-diamine;7-N-dibenzothiophen-3-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine (PubChem CID 158872648) has the molecular formula C142H94N6O3S3 and a molecular weight of 2028.55 g/mol. Its IUPAC name is 7-N-dibenzothiophen-3-yl-2-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzofuran-2,7-diamine;7-N-dibenzothiophen-3-yl-7-N-(4-naphthalen-2-ylphenyl)-3-N,3-N-diphenyldibenzofuran-3,7-diamine;7-N-dibenzothiophen-3-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine.

Molecular Properties

Compound Name7-N-dibenzothiophen-3-yl-2-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzofuran-2,7-diamine;7-N-dibenzothiophen-3-yl-7-N-(4-naphthalen-2-ylphenyl)-3-N,3-N-diphenyldibenzofuran-3,7-diamine;7-N-dibenzothiophen-3-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine
PubChem CID158872648
Molecular FormulaC142H94N6O3S3
Molecular Weight2028.55 g/mol
Exact Mass2026.65
IUPAC Name7-N-dibenzothiophen-3-yl-2-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzofuran-2,7-diamine;7-N-dibenzothiophen-3-yl-7-N-(4-naphthalen-2-ylphenyl)-3-N,3-N-diphenyldibenzofuran-3,7-diamine;7-N-dibenzothiophen-3-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4oc5cc(N(c6ccccc6)c6ccc7c(c6)sc6ccccc67)ccc5c4c3)cc2)cc1.c1ccc(N(c2ccc3c(c2)oc2ccc(N(c4ccccc4)c4ccccc4)cc23)c2ccc3c(c2)sc2ccccc23)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)oc2cc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc5c(c4)sc4ccccc45)ccc23)cc1
InChIInChI=1S/C52H34N2OS.C48H32N2OS.C42H28N2OS/c1-3-13-39(14-4-1)53(40-15-5-2-6-16-40)42-25-28-45-46-29-26-43(33-50(46)55-49(45)32-42)54(44-27-30-48-47-17-9-10-18-51(47)56-52(48)34-44)41-23-21-36(22-24-41)38-20-19-35-11-7-8-12-37(35)31-38;1-4-12-33(13-5-1)34-20-22-37(23-21-34)49(35-14-6-2-7-15-35)38-26-29-45-44(30-38)41-27-24-39(31-46(41)51-45)50(36-16-8-3-9-17-36)40-25-28-43-42-18-10-11-19-47(42)52-48(43)32-40;1-4-12-29(13-5-1)43(30-14-6-2-7-15-30)32-22-25-39-38(26-32)35-23-20-33(27-40(35)45-39)44(31-16-8-3-9-17-31)34-21-24-37-36-18-10-11-19-41(36)46-42(37)28-34/h1-34H;1-32H;1-28H
InChIKeyJCAPEILOVJLWCU-UHFFFAOYSA-N
XLogP43.17
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002028.55
LogP ≤ 543.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 7-N-dibenzothiophen-3-yl-2-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzofuran-2,7-diamine;7-N-dibenzothiophen-3-yl-7-N-(4-naphthalen-2-ylphenyl)-3-N,3-N-diphenyldibenzofuran-3,7-diamine;7-N-dibenzothiophen-3-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine with MolForge

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Related Compounds

7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzofuran-2,7-diamine
CID 176781504
8-N-dibenzofuran-3-yl-8-N-(4-naphthalen-2-ylphenyl)-2-N,2-N-diphenyldibenzofuran-2,8-diamine
CID 146576029
7-N-dibenzothiophen-3-yl-3-N,3-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-3,7-diamine
CID 146573933
N-[4-[4-(N-dibenzothiophen-2-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine;N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 161374051
N-(4-chrysen-2-ylphenyl)-N-dibenzothiophen-3-yldibenzofuran-3-amine
CID 170137660
2-N-dibenzofuran-3-yl-7-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 146574016
N-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-3-amine
CID 163950326
7-N-dibenzofuran-3-yl-7-N-(4-naphthalen-2-ylphenyl)-1-N,1-N-diphenyldibenzothiophene-1,7-diamine
CID 146574115
7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 161416288
7-N-dibenzofuran-3-yl-2-N-dibenzothiophen-3-yl-2-N,7-N-diphenylnaphthalene-2,7-diamine
CID 166917120
3-N-dibenzofuran-2-yl-1-N-naphthalen-2-yl-5-naphtho[2,3-b][1]benzothiol-3-yl-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine
CID 122552061
N-(4-dibenzothiophen-3-ylphenyl)-3-(6-naphthalen-2-ylnaphthalen-2-yl)-N-phenylaniline
CID 174257627

Frequently Asked Questions

What is the IUPAC name of 7-N-dibenzothiophen-3-yl-2-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzofuran-2,7-diamine;7-N-dibenzothiophen-3-yl-7-N-(4-naphthalen-2-ylphenyl)-3-N,3-N-diphenyldibenzofuran-3,7-diamine;7-N-dibenzothiophen-3-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine?
The IUPAC name of 7-N-dibenzothiophen-3-yl-2-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzofuran-2,7-diamine;7-N-dibenzothiophen-3-yl-7-N-(4-naphthalen-2-ylphenyl)-3-N,3-N-diphenyldibenzofuran-3,7-diamine;7-N-dibenzothiophen-3-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine (CID 158872648) is 7-N-dibenzothiophen-3-yl-2-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzofuran-2,7-diamine;7-N-dibenzothiophen-3-yl-7-N-(4-naphthalen-2-ylphenyl)-3-N,3-N-diphenyldibenzofuran-3,7-diamine;7-N-dibenzothiophen-3-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine.
What is the SMILES notation for 7-N-dibenzothiophen-3-yl-2-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzofuran-2,7-diamine;7-N-dibenzothiophen-3-yl-7-N-(4-naphthalen-2-ylphenyl)-3-N,3-N-diphenyldibenzofuran-3,7-diamine;7-N-dibenzothiophen-3-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine?
The canonical SMILES for 7-N-dibenzothiophen-3-yl-2-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzofuran-2,7-diamine;7-N-dibenzothiophen-3-yl-7-N-(4-naphthalen-2-ylphenyl)-3-N,3-N-diphenyldibenzofuran-3,7-diamine;7-N-dibenzothiophen-3-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc4oc5cc(N(c6ccccc6)c6ccc7c(c6)sc6ccccc67)ccc5c4c3)cc2)cc1.c1ccc(N(c2ccc3c(c2)oc2ccc(N(c4ccccc4)c4ccccc4)cc23)c2ccc3c(c2)sc2ccccc23)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)oc2cc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc5c(c4)sc4ccccc45)ccc23)cc1.
What is the InChIKey of 7-N-dibenzothiophen-3-yl-2-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzofuran-2,7-diamine;7-N-dibenzothiophen-3-yl-7-N-(4-naphthalen-2-ylphenyl)-3-N,3-N-diphenyldibenzofuran-3,7-diamine;7-N-dibenzothiophen-3-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine?
The InChIKey is JCAPEILOVJLWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2OS.C48H32N2OS.C42H28N2OS/c1-3-13-39(14-4-1)53(40-15-5-2-6-16-40)42-25-28-45-46-29-26-43(33-50(46)55-49(45)32-42)54(44-27-30-48-47-17-9-10-18-51(47)56-52(48)34-44)41-23-21-36(22-24-41)38-20-19-35-11-7-8-12-37(35)31-38;1-4-12-33(13-5-1)34-20-22-37(23-21-34)49(35-14-6-2-7-15-35)38-26-29-45-44(30-38)41-27-24-39(31-46(41)51-45)50(36-16-8-3-9-17-36)40-25-28-43-42-18-10-11-19-47(42)52-48(43)32-40;1-4-12-29(13-5-1)43(30-14-6-2-7-15-30)32-22-25-39-38(26-32)35-23-20-33(27-40(35)45-39)44(31-16-8-3-9-17-31)34-21-24-37-36-18-10-11-19-41(36)46-42(37)28-34/h1-34H;1-32H;1-28H.
What are the key properties of 7-N-dibenzothiophen-3-yl-2-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzofuran-2,7-diamine;7-N-dibenzothiophen-3-yl-7-N-(4-naphthalen-2-ylphenyl)-3-N,3-N-diphenyldibenzofuran-3,7-diamine;7-N-dibenzothiophen-3-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine?
7-N-dibenzothiophen-3-yl-2-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzofuran-2,7-diamine;7-N-dibenzothiophen-3-yl-7-N-(4-naphthalen-2-ylphenyl)-3-N,3-N-diphenyldibenzofuran-3,7-diamine;7-N-dibenzothiophen-3-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine has a molecular weight of 2028.55 g/mol, XLogP of 43.17, 20 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-dibenzothiophen-3-yl-2-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzofuran-2,7-diamine;7-N-dibenzothiophen-3-yl-7-N-(4-naphthalen-2-ylphenyl)-3-N,3-N-diphenyldibenzofuran-3,7-diamine;7-N-dibenzothiophen-3-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine is sourced from PubChem (CID 158872648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).