7-N-dibenzothiophen-2-yl-7-N-(3-phenoxyphenyl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;2-N,2-N-diphenyl-7-N,7-N-bis(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-[9-(3-methylphenyl)dibenzothiophen-2-yl]-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine

C145H100N6OS5 — CID 161272651

IUPAC7-N-dibenzothiophen-2-yl-7-N-(3-phenoxyphenyl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;2-N,2-N-diphenyl-7-N,7-N-bis(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-[9-(3-methylphenyl)dibenzothiophen-2-yl]-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
SMILESCc1cccc(-c2cccc3sc4ccc(N(c5ccccc5)c5ccc6c(c5)sc5ccc(N(c7ccccc7)c7ccccc7)cc56)cc4c23)c1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)sc3ccc(N(c5ccccc5)c5ccccc5)cc34)cc2)cc1.c1ccc(Oc2cccc(N(c3ccc4c(c3)sc3ccc(N(c5ccccc5)c5ccccc5)cc34)c3ccc4sc5ccccc5c4c3)c2)cc1
InChIInChI=1S/C49H34N2S2.C48H32N2OS2.C48H34N2S/c1-33-13-11-14-34(29-33)41-21-12-22-47-49(41)44-31-39(25-28-46(44)52-47)51(37-19-9-4-10-20-37)40-23-26-42-43-30-38(24-27-45(43)53-48(42)32-40)50(35-15-5-2-6-16-35)36-17-7-3-8-18-36;1-4-13-33(14-5-1)49(34-15-6-2-7-16-34)36-24-28-47-44(30-36)42-26-23-38(32-48(42)53-47)50(35-17-12-20-40(29-35)51-39-18-8-3-9-19-39)37-25-27-46-43(31-37)41-21-10-11-22-45(41)52-46;1-5-13-35(14-6-1)37-21-25-41(26-22-37)50(42-27-23-38(24-28-42)36-15-7-2-8-16-36)44-29-31-45-46-33-43(30-32-47(46)51-48(45)34-44)49(39-17-9-3-10-18-39)40-19-11-4-12-20-40/h2-32H,1H3;1-32H;1-34H
InChIKeyVEAGMIQZPRRYFL-UHFFFAOYSA-N
MW2102.77 g/mol
LogP44.82
Rot. Bonds23

About 7-N-dibenzothiophen-2-yl-7-N-(3-phenoxyphenyl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;2-N,2-N-diphenyl-7-N,7-N-bis(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-[9-(3-methylphenyl)dibenzothiophen-2-yl]-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine

7-N-dibenzothiophen-2-yl-7-N-(3-phenoxyphenyl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;2-N,2-N-diphenyl-7-N,7-N-bis(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-[9-(3-methylphenyl)dibenzothiophen-2-yl]-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine (PubChem CID 161272651) has the molecular formula C145H100N6OS5 and a molecular weight of 2102.77 g/mol. Its IUPAC name is 7-N-dibenzothiophen-2-yl-7-N-(3-phenoxyphenyl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;2-N,2-N-diphenyl-7-N,7-N-bis(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-[9-(3-methylphenyl)dibenzothiophen-2-yl]-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine.

Molecular Properties

Compound Name7-N-dibenzothiophen-2-yl-7-N-(3-phenoxyphenyl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;2-N,2-N-diphenyl-7-N,7-N-bis(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-[9-(3-methylphenyl)dibenzothiophen-2-yl]-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
PubChem CID161272651
Molecular FormulaC145H100N6OS5
Molecular Weight2102.77 g/mol
Exact Mass2100.66
IUPAC Name7-N-dibenzothiophen-2-yl-7-N-(3-phenoxyphenyl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;2-N,2-N-diphenyl-7-N,7-N-bis(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-[9-(3-methylphenyl)dibenzothiophen-2-yl]-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
SMILESCc1cccc(-c2cccc3sc4ccc(N(c5ccccc5)c5ccc6c(c5)sc5ccc(N(c7ccccc7)c7ccccc7)cc56)cc4c23)c1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)sc3ccc(N(c5ccccc5)c5ccccc5)cc34)cc2)cc1.c1ccc(Oc2cccc(N(c3ccc4c(c3)sc3ccc(N(c5ccccc5)c5ccccc5)cc34)c3ccc4sc5ccccc5c4c3)c2)cc1
InChIInChI=1S/C49H34N2S2.C48H32N2OS2.C48H34N2S/c1-33-13-11-14-34(29-33)41-21-12-22-47-49(41)44-31-39(25-28-46(44)52-47)51(37-19-9-4-10-20-37)40-23-26-42-43-30-38(24-27-45(43)53-48(42)32-40)50(35-15-5-2-6-16-35)36-17-7-3-8-18-36;1-4-13-33(14-5-1)49(34-15-6-2-7-16-34)36-24-28-47-44(30-36)42-26-23-38(32-48(42)53-47)50(35-17-12-20-40(29-35)51-39-18-8-3-9-19-39)37-25-27-46-43(31-37)41-21-10-11-22-45(41)52-46;1-5-13-35(14-6-1)37-21-25-41(26-22-37)50(42-27-23-38(24-28-42)36-15-7-2-8-16-36)44-29-31-45-46-33-43(30-32-47(46)51-48(45)34-44)49(39-17-9-3-10-18-39)40-19-11-4-12-20-40/h2-32H,1H3;1-32H;1-34H
InChIKeyVEAGMIQZPRRYFL-UHFFFAOYSA-N
XLogP44.82
TPSA28.67 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds23
Heavy Atoms157
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002102.77
LogP ≤ 544.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 7-N-dibenzothiophen-2-yl-7-N-(3-phenoxyphenyl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;2-N,2-N-diphenyl-7-N,7-N-bis(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-[9-(3-methylphenyl)dibenzothiophen-2-yl]-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine with MolForge

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Related Compounds

7-N-dibenzothiophen-2-yl-7-N-(3-phenoxyphenyl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;2-N,2-N-diphenyl-7-N,7-N-bis(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 160665124
7-N-(7-methyldibenzothiophen-2-yl)-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;7-N-[9-(3-methylphenyl)dibenzothiophen-2-yl]-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 158836219
7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-[4-[3-(N-phenylanilino)phenyl]phenyl]dibenzothiophene-2,7-diamine
CID 131979873
2-N,2-N-diphenyl-7-N-[4-[3-(N-phenylanilino)phenyl]phenyl]-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 131979910
7-N-dibenzothiophen-2-yl-2-N-(4-methylphenyl)-2-N,7-N,9-triphenyldibenzothiophene-2,7-diamine
CID 164707306
7-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;2-N,7-N-dinaphthalen-2-yl-2-N-phenyl-7-N-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]dibenzothiophene-2,7-diamine;2-N,2-N-diphenyl-7-N-[3-(N-phenylanilino)phenyl]-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 161361054
N-[4-(3-dibenzothiophen-1-ylphenyl)phenyl]-N-[4-(4-methylphenyl)phenyl]-4-phenylaniline
CID 121261361
3-N,3-N-di(dibenzothiophen-2-yl)-1-N,5-N-bis(3-methylphenyl)-1-N,5-N-diphenylbenzene-1,3,5-triamine
CID 118605072
8-dibenzothiophen-3-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90076252
1-N,3-N-di(dibenzothiophen-2-yl)-1-N,3-N-bis(3-methylphenyl)-5-N,5-N-diphenylbenzene-1,3,5-triamine
CID 118605031
7-N-(7-methyldibenzothiophen-2-yl)-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 139422457
N-dibenzothiophen-3-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 154031425

Frequently Asked Questions

What is the IUPAC name of 7-N-dibenzothiophen-2-yl-7-N-(3-phenoxyphenyl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;2-N,2-N-diphenyl-7-N,7-N-bis(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-[9-(3-methylphenyl)dibenzothiophen-2-yl]-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine?
The IUPAC name of 7-N-dibenzothiophen-2-yl-7-N-(3-phenoxyphenyl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;2-N,2-N-diphenyl-7-N,7-N-bis(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-[9-(3-methylphenyl)dibenzothiophen-2-yl]-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine (CID 161272651) is 7-N-dibenzothiophen-2-yl-7-N-(3-phenoxyphenyl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;2-N,2-N-diphenyl-7-N,7-N-bis(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-[9-(3-methylphenyl)dibenzothiophen-2-yl]-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine.
What is the SMILES notation for 7-N-dibenzothiophen-2-yl-7-N-(3-phenoxyphenyl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;2-N,2-N-diphenyl-7-N,7-N-bis(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-[9-(3-methylphenyl)dibenzothiophen-2-yl]-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine?
The canonical SMILES for 7-N-dibenzothiophen-2-yl-7-N-(3-phenoxyphenyl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;2-N,2-N-diphenyl-7-N,7-N-bis(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-[9-(3-methylphenyl)dibenzothiophen-2-yl]-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine is Cc1cccc(-c2cccc3sc4ccc(N(c5ccccc5)c5ccc6c(c5)sc5ccc(N(c7ccccc7)c7ccccc7)cc56)cc4c23)c1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)sc3ccc(N(c5ccccc5)c5ccccc5)cc34)cc2)cc1.c1ccc(Oc2cccc(N(c3ccc4c(c3)sc3ccc(N(c5ccccc5)c5ccccc5)cc34)c3ccc4sc5ccccc5c4c3)c2)cc1.
What is the InChIKey of 7-N-dibenzothiophen-2-yl-7-N-(3-phenoxyphenyl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;2-N,2-N-diphenyl-7-N,7-N-bis(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-[9-(3-methylphenyl)dibenzothiophen-2-yl]-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine?
The InChIKey is VEAGMIQZPRRYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N2S2.C48H32N2OS2.C48H34N2S/c1-33-13-11-14-34(29-33)41-21-12-22-47-49(41)44-31-39(25-28-46(44)52-47)51(37-19-9-4-10-20-37)40-23-26-42-43-30-38(24-27-45(43)53-48(42)32-40)50(35-15-5-2-6-16-35)36-17-7-3-8-18-36;1-4-13-33(14-5-1)49(34-15-6-2-7-16-34)36-24-28-47-44(30-36)42-26-23-38(32-48(42)53-47)50(35-17-12-20-40(29-35)51-39-18-8-3-9-19-39)37-25-27-46-43(31-37)41-21-10-11-22-45(41)52-46;1-5-13-35(14-6-1)37-21-25-41(26-22-37)50(42-27-23-38(24-28-42)36-15-7-2-8-16-36)44-29-31-45-46-33-43(30-32-47(46)51-48(45)34-44)49(39-17-9-3-10-18-39)40-19-11-4-12-20-40/h2-32H,1H3;1-32H;1-34H.
What are the key properties of 7-N-dibenzothiophen-2-yl-7-N-(3-phenoxyphenyl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;2-N,2-N-diphenyl-7-N,7-N-bis(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-[9-(3-methylphenyl)dibenzothiophen-2-yl]-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine?
7-N-dibenzothiophen-2-yl-7-N-(3-phenoxyphenyl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;2-N,2-N-diphenyl-7-N,7-N-bis(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-[9-(3-methylphenyl)dibenzothiophen-2-yl]-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine has a molecular weight of 2102.77 g/mol, XLogP of 44.82, 23 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-dibenzothiophen-2-yl-7-N-(3-phenoxyphenyl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;2-N,2-N-diphenyl-7-N,7-N-bis(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-[9-(3-methylphenyl)dibenzothiophen-2-yl]-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine is sourced from PubChem (CID 161272651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).