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

C92H64N4S4 — CID 158836219

IUPAC7-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
SMILESCc1ccc2c(c1)sc1ccc(N(c3ccccc3)c3ccc4c(c3)sc3ccc(N(c5ccccc5)c5ccccc5)cc34)cc12.Cc1cccc(-c2cccc3sc4ccc(N(c5ccccc5)c5ccc6c(c5)sc5ccc(N(c7ccccc7)c7ccccc7)cc56)cc4c23)c1
InChIInChI=1S/C49H34N2S2.C43H30N2S2/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;1-29-17-21-36-38-27-34(20-24-40(38)46-42(36)25-29)45(32-15-9-4-10-16-32)35-18-22-37-39-26-33(19-23-41(39)47-43(37)28-35)44(30-11-5-2-6-12-30)31-13-7-3-8-14-31/h2-32H,1H3;2-28H,1H3
InChIKeyIXRCTJGLJMPZTB-UHFFFAOYSA-N
MW1353.82 g/mol
LogP29.01
Rot. Bonds13

About 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

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 (PubChem CID 158836219) has the molecular formula C92H64N4S4 and a molecular weight of 1353.82 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-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
PubChem CID158836219
Molecular FormulaC92H64N4S4
Molecular Weight1353.82 g/mol
Exact Mass1352.40
IUPAC Name7-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
SMILESCc1ccc2c(c1)sc1ccc(N(c3ccccc3)c3ccc4c(c3)sc3ccc(N(c5ccccc5)c5ccccc5)cc34)cc12.Cc1cccc(-c2cccc3sc4ccc(N(c5ccccc5)c5ccc6c(c5)sc5ccc(N(c7ccccc7)c7ccccc7)cc56)cc4c23)c1
InChIInChI=1S/C49H34N2S2.C43H30N2S2/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;1-29-17-21-36-38-27-34(20-24-40(38)46-42(36)25-29)45(32-15-9-4-10-16-32)35-18-22-37-39-26-33(19-23-41(39)47-43(37)28-35)44(30-11-5-2-6-12-30)31-13-7-3-8-14-31/h2-32H,1H3;2-28H,1H3
InChIKeyIXRCTJGLJMPZTB-UHFFFAOYSA-N
XLogP29.01
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001353.82
LogP ≤ 529.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 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;7-N-[9-(3-methylphenyl)dibenzothiophen-2-yl]-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 161272651
7-N-(7-methyldibenzothiophen-2-yl)-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 139422457
7-N-dibenzothiophen-2-yl-2-N-(4-methylphenyl)-2-N,7-N,9-triphenyldibenzothiophene-2,7-diamine
CID 164707306
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
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
2-N,7-N-di(dibenzothiophen-2-yl)-7-N-dibenzothiophen-3-yl-2-N-phenyldibenzothiophene-2,7-diamine
CID 130327123
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
N-[4-(3-dibenzothiophen-1-ylphenyl)phenyl]-N-[4-(4-methylphenyl)phenyl]-4-phenylaniline
CID 121261361
N-(3-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-3-amine
CID 167324291
N-dibenzothiophen-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyldibenzothiophen-2-amine
CID 164829419
2-N,2-N,7-N-triphenyl-7-N-triphenylen-2-yldibenzothiophene-2,7-diamine
CID 146576040

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc2c(c1)sc1ccc(N(c3ccccc3)c3ccc4c(c3)sc3ccc(N(c5ccccc5)c5ccccc5)cc34)cc12.Cc1cccc(-c2cccc3sc4ccc(N(c5ccccc5)c5ccc6c(c5)sc5ccc(N(c7ccccc7)c7ccccc7)cc56)cc4c23)c1.
What is the InChIKey of 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?
The InChIKey is IXRCTJGLJMPZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N2S2.C43H30N2S2/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;1-29-17-21-36-38-27-34(20-24-40(38)46-42(36)25-29)45(32-15-9-4-10-16-32)35-18-22-37-39-26-33(19-23-41(39)47-43(37)28-35)44(30-11-5-2-6-12-30)31-13-7-3-8-14-31/h2-32H,1H3;2-28H,1H3.
What are the key properties of 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?
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 has a molecular weight of 1353.82 g/mol, XLogP of 29.01, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158836219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).