2-N-dibenzothiophen-2-yl-7-N-naphthalen-1-yl-2-N,7-N-diphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-4-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;8-N-dibenzothiophen-2-yl-1-N,1-N,8-N-triphenyldibenzothiophene-1,8-diamine

C130H86N6S6 — CID 161330703

IUPAC2-N-dibenzothiophen-2-yl-7-N-naphthalen-1-yl-2-N,7-N-diphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-4-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;8-N-dibenzothiophen-2-yl-1-N,1-N,8-N-triphenyldibenzothiophene-1,8-diamine
SMILESc1ccc(N(c2ccc3sc4ccccc4c3c2)c2ccc3sc4cc(N(c5ccccc5)c5cccc6ccccc56)ccc4c3c2)cc1.c1ccc(N(c2ccc3sc4ccccc4c3c2)c2ccc3sc4cccc(N(c5ccccc5)c5ccccc5)c4c3c2)cc1.c1ccc(N(c2ccccc2)c2ccc3sc4cc(N(c5ccccc5)c5cccc6c5sc5ccccc56)ccc4c3c2)cc1
InChIInChI=1S/C46H30N2S2.2C42H28N2S2/c1-3-14-32(15-4-1)47(34-23-26-44-40(28-34)38-19-9-10-21-43(38)49-44)35-24-27-45-41(29-35)39-25-22-36(30-46(39)50-45)48(33-16-5-2-6-17-33)42-20-11-13-31-12-7-8-18-37(31)42;1-4-13-29(14-5-1)43(30-15-6-2-7-16-30)32-24-26-40-37(27-32)35-25-23-33(28-41(35)45-40)44(31-17-8-3-9-18-31)38-21-12-20-36-34-19-10-11-22-39(34)46-42(36)38;1-4-13-29(14-5-1)43(32-23-25-39-35(27-32)34-19-10-11-21-38(34)45-39)33-24-26-40-36(28-33)42-37(20-12-22-41(42)46-40)44(30-15-6-2-7-16-30)31-17-8-3-9-18-31/h1-30H;2*1-28H
InChIKeyVLJLZCGEHDHHJM-UHFFFAOYSA-N
MW1924.56 g/mol
LogP41.24
Rot. Bonds18

About 2-N-dibenzothiophen-2-yl-7-N-naphthalen-1-yl-2-N,7-N-diphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-4-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;8-N-dibenzothiophen-2-yl-1-N,1-N,8-N-triphenyldibenzothiophene-1,8-diamine

2-N-dibenzothiophen-2-yl-7-N-naphthalen-1-yl-2-N,7-N-diphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-4-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;8-N-dibenzothiophen-2-yl-1-N,1-N,8-N-triphenyldibenzothiophene-1,8-diamine (PubChem CID 161330703) has the molecular formula C130H86N6S6 and a molecular weight of 1924.56 g/mol. Its IUPAC name is 2-N-dibenzothiophen-2-yl-7-N-naphthalen-1-yl-2-N,7-N-diphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-4-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;8-N-dibenzothiophen-2-yl-1-N,1-N,8-N-triphenyldibenzothiophene-1,8-diamine.

Molecular Properties

Compound Name2-N-dibenzothiophen-2-yl-7-N-naphthalen-1-yl-2-N,7-N-diphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-4-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;8-N-dibenzothiophen-2-yl-1-N,1-N,8-N-triphenyldibenzothiophene-1,8-diamine
PubChem CID161330703
Molecular FormulaC130H86N6S6
Molecular Weight1924.56 g/mol
Exact Mass1922.52
IUPAC Name2-N-dibenzothiophen-2-yl-7-N-naphthalen-1-yl-2-N,7-N-diphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-4-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;8-N-dibenzothiophen-2-yl-1-N,1-N,8-N-triphenyldibenzothiophene-1,8-diamine
SMILESc1ccc(N(c2ccc3sc4ccccc4c3c2)c2ccc3sc4cc(N(c5ccccc5)c5cccc6ccccc56)ccc4c3c2)cc1.c1ccc(N(c2ccc3sc4ccccc4c3c2)c2ccc3sc4cccc(N(c5ccccc5)c5ccccc5)c4c3c2)cc1.c1ccc(N(c2ccccc2)c2ccc3sc4cc(N(c5ccccc5)c5cccc6c5sc5ccccc56)ccc4c3c2)cc1
InChIInChI=1S/C46H30N2S2.2C42H28N2S2/c1-3-14-32(15-4-1)47(34-23-26-44-40(28-34)38-19-9-10-21-43(38)49-44)35-24-27-45-41(29-35)39-25-22-36(30-46(39)50-45)48(33-16-5-2-6-17-33)42-20-11-13-31-12-7-8-18-37(31)42;1-4-13-29(14-5-1)43(30-15-6-2-7-16-30)32-24-26-40-37(27-32)35-25-23-33(28-41(35)45-40)44(31-17-8-3-9-18-31)38-21-12-20-36-34-19-10-11-22-39(34)46-42(36)38;1-4-13-29(14-5-1)43(32-23-25-39-35(27-32)34-19-10-11-21-38(34)45-39)33-24-26-40-36(28-33)42-37(20-12-22-41(42)46-40)44(30-15-6-2-7-16-30)31-17-8-3-9-18-31/h1-30H;2*1-28H
InChIKeyVLJLZCGEHDHHJM-UHFFFAOYSA-N
XLogP41.24
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001924.56
LogP ≤ 541.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-N-dibenzothiophen-2-yl-7-N-naphthalen-1-yl-2-N,7-N-diphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-4-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;8-N-dibenzothiophen-2-yl-1-N,1-N,8-N-triphenyldibenzothiophene-1,8-diamine with MolForge

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Related Compounds

7-N-dibenzothiophen-1-yl-2-N,2-N-diphenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzothiophen-4-yl-2-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzothiophen-2-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;7-N-phenanthren-2-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 159620715
2-N-dibenzothiophen-1-yl-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;2-N-dibenzothiophen-3-yl-2-N-naphthalen-1-yl-7-N,7-N-diphenyldibenzothiophene-2,7-diamine
CID 159090908
7-N-naphthalen-1-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 146574134
N-[4-[4-(N-dibenzothiophen-3-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine;2-N,8-N-dinaphthalen-1-yl-2-N,8-N-diphenyldibenzothiophene-2,8-diamine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 161138976
N-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;N-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 159690784
1-N,1-N,3-N-triphenyl-3-N-[8-(N-phenylanilino)dibenzothiophen-2-yl]dibenzothiophene-1,3-diamine;1-N,1-N,3-N-triphenyl-3-N-[9-(N-phenylanilino)dibenzothiophen-4-yl]dibenzothiophene-1,3-diamine;1-N,3-N,3-N-triphenyl-1-N-[8-(N-phenylanilino)dibenzothiophen-1-yl]dibenzothiophene-1,3-diamine
CID 163676818
7-N-naphthalen-1-yl-2-N,7-N-diphenyl-2-N-[4-[4-[7-(N-phenylanilino)dibenzothiophen-2-yl]phenyl]phenyl]dibenzothiophene-2,7-diamine
CID 129194290
1-N,1-N,3-N-triphenyl-3-N-[8-(N-phenylanilino)dibenzothiophen-4-yl]dibenzothiophene-1,3-diamine
CID 146550689
N-naphthalen-1-yl-N-phenyl-35-thiaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.028,36.029,34]heptatriaconta-1(26),2,4,6,8,10,12,14,16,18,20(25),21,23,27,29,31,33,36-octadecaen-22-amine
CID 130465034
1-N-naphtho[1,2-b][1]benzothiol-8-yl-1-N,3-N-diphenyl-3-N-[8-(N-phenylanilino)dibenzothiophen-3-yl]dibenzothiophene-1,3-diamine
CID 146550645
3-N-[4-(N-[8-[3-(N-[3-(N-[4-(N-dibenzothiophen-4-ylanilino)phenyl]anilino)phenyl]anilino)phenyl]dibenzothiophen-2-yl]anilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 163460336
N,N-di(phenanthren-9-yl)dibenzothiophen-1-amine;N,N-di(phenanthren-9-yl)dibenzothiophen-2-amine;N,N-di(phenanthren-9-yl)dibenzothiophen-3-amine;N,N-di(phenanthren-9-yl)dibenzothiophen-4-amine
CID 158475347

Frequently Asked Questions

What is the IUPAC name of 2-N-dibenzothiophen-2-yl-7-N-naphthalen-1-yl-2-N,7-N-diphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-4-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;8-N-dibenzothiophen-2-yl-1-N,1-N,8-N-triphenyldibenzothiophene-1,8-diamine?
The IUPAC name of 2-N-dibenzothiophen-2-yl-7-N-naphthalen-1-yl-2-N,7-N-diphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-4-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;8-N-dibenzothiophen-2-yl-1-N,1-N,8-N-triphenyldibenzothiophene-1,8-diamine (CID 161330703) is 2-N-dibenzothiophen-2-yl-7-N-naphthalen-1-yl-2-N,7-N-diphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-4-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;8-N-dibenzothiophen-2-yl-1-N,1-N,8-N-triphenyldibenzothiophene-1,8-diamine.
What is the SMILES notation for 2-N-dibenzothiophen-2-yl-7-N-naphthalen-1-yl-2-N,7-N-diphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-4-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;8-N-dibenzothiophen-2-yl-1-N,1-N,8-N-triphenyldibenzothiophene-1,8-diamine?
The canonical SMILES for 2-N-dibenzothiophen-2-yl-7-N-naphthalen-1-yl-2-N,7-N-diphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-4-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;8-N-dibenzothiophen-2-yl-1-N,1-N,8-N-triphenyldibenzothiophene-1,8-diamine is c1ccc(N(c2ccc3sc4ccccc4c3c2)c2ccc3sc4cc(N(c5ccccc5)c5cccc6ccccc56)ccc4c3c2)cc1.c1ccc(N(c2ccc3sc4ccccc4c3c2)c2ccc3sc4cccc(N(c5ccccc5)c5ccccc5)c4c3c2)cc1.c1ccc(N(c2ccccc2)c2ccc3sc4cc(N(c5ccccc5)c5cccc6c5sc5ccccc56)ccc4c3c2)cc1.
What is the InChIKey of 2-N-dibenzothiophen-2-yl-7-N-naphthalen-1-yl-2-N,7-N-diphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-4-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;8-N-dibenzothiophen-2-yl-1-N,1-N,8-N-triphenyldibenzothiophene-1,8-diamine?
The InChIKey is VLJLZCGEHDHHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2S2.2C42H28N2S2/c1-3-14-32(15-4-1)47(34-23-26-44-40(28-34)38-19-9-10-21-43(38)49-44)35-24-27-45-41(29-35)39-25-22-36(30-46(39)50-45)48(33-16-5-2-6-17-33)42-20-11-13-31-12-7-8-18-37(31)42;1-4-13-29(14-5-1)43(30-15-6-2-7-16-30)32-24-26-40-37(27-32)35-25-23-33(28-41(35)45-40)44(31-17-8-3-9-18-31)38-21-12-20-36-34-19-10-11-22-39(34)46-42(36)38;1-4-13-29(14-5-1)43(32-23-25-39-35(27-32)34-19-10-11-21-38(34)45-39)33-24-26-40-36(28-33)42-37(20-12-22-41(42)46-40)44(30-15-6-2-7-16-30)31-17-8-3-9-18-31/h1-30H;2*1-28H.
What are the key properties of 2-N-dibenzothiophen-2-yl-7-N-naphthalen-1-yl-2-N,7-N-diphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-4-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;8-N-dibenzothiophen-2-yl-1-N,1-N,8-N-triphenyldibenzothiophene-1,8-diamine?
2-N-dibenzothiophen-2-yl-7-N-naphthalen-1-yl-2-N,7-N-diphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-4-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;8-N-dibenzothiophen-2-yl-1-N,1-N,8-N-triphenyldibenzothiophene-1,8-diamine has a molecular weight of 1924.56 g/mol, XLogP of 41.24, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-dibenzothiophen-2-yl-7-N-naphthalen-1-yl-2-N,7-N-diphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-4-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;8-N-dibenzothiophen-2-yl-1-N,1-N,8-N-triphenyldibenzothiophene-1,8-diamine is sourced from PubChem (CID 161330703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).