7-N-dibenzothiophen-2-yl-2-N,2-N,7-N,9-tetraphenyldibenzothiophene-2,7-diamine;7-N-(9,9-dimethylfluoren-2-yl)-2-N,2-N-diphenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-(9,9-dimethylfluoren-3-yl)-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine

C144H104N6S4 — CID 158900066

IUPAC7-N-dibenzothiophen-2-yl-2-N,2-N,7-N,9-tetraphenyldibenzothiophene-2,7-diamine;7-N-(9,9-dimethylfluoren-2-yl)-2-N,2-N-diphenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-(9,9-dimethylfluoren-3-yl)-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3ccc4c(c3)sc3ccc(N(c5ccccc5)c5ccccc5)cc34)ccc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)sc3ccc(N(c5ccccc5)c5ccccc5)cc34)cc21.c1ccc(-c2cc(N(c3ccccc3)c3ccc4sc5ccccc5c4c3)cc3sc4ccc(N(c5ccccc5)c5ccccc5)cc4c23)cc1
InChIInChI=1S/C51H38N2S.C48H32N2S2.C45H34N2S/c1-51(2)47-21-13-12-20-43(47)44-29-26-41(33-48(44)51)53(39-24-22-36(23-25-39)35-14-6-3-7-15-35)42-27-30-45-46-32-40(28-31-49(46)54-50(45)34-42)52(37-16-8-4-9-17-37)38-18-10-5-11-19-38;1-5-15-33(16-6-1)41-31-39(50(36-21-11-4-12-22-36)37-25-27-45-42(29-37)40-23-13-14-24-44(40)51-45)32-47-48(41)43-30-38(26-28-46(43)52-47)49(34-17-7-2-8-18-34)35-19-9-3-10-20-35;1-45(2)41-21-13-12-20-37(41)39-28-34(23-26-42(39)45)47(33-18-10-5-11-19-33)36-22-25-38-40-29-35(24-27-43(40)48-44(38)30-36)46(31-14-6-3-7-15-31)32-16-8-4-9-17-32/h3-34H,1-2H3;1-32H;3-30H,1-2H3
InChIKeyJFHZRBFPAJPMHA-UHFFFAOYSA-N
MW2046.73 g/mol
LogP43.30
Rot. Bonds20

About 7-N-dibenzothiophen-2-yl-2-N,2-N,7-N,9-tetraphenyldibenzothiophene-2,7-diamine;7-N-(9,9-dimethylfluoren-2-yl)-2-N,2-N-diphenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-(9,9-dimethylfluoren-3-yl)-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine

7-N-dibenzothiophen-2-yl-2-N,2-N,7-N,9-tetraphenyldibenzothiophene-2,7-diamine;7-N-(9,9-dimethylfluoren-2-yl)-2-N,2-N-diphenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-(9,9-dimethylfluoren-3-yl)-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine (PubChem CID 158900066) has the molecular formula C144H104N6S4 and a molecular weight of 2046.73 g/mol. Its IUPAC name is 7-N-dibenzothiophen-2-yl-2-N,2-N,7-N,9-tetraphenyldibenzothiophene-2,7-diamine;7-N-(9,9-dimethylfluoren-2-yl)-2-N,2-N-diphenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-(9,9-dimethylfluoren-3-yl)-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine.

Molecular Properties

Compound Name7-N-dibenzothiophen-2-yl-2-N,2-N,7-N,9-tetraphenyldibenzothiophene-2,7-diamine;7-N-(9,9-dimethylfluoren-2-yl)-2-N,2-N-diphenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-(9,9-dimethylfluoren-3-yl)-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
PubChem CID158900066
Molecular FormulaC144H104N6S4
Molecular Weight2046.73 g/mol
Exact Mass2044.72
IUPAC Name7-N-dibenzothiophen-2-yl-2-N,2-N,7-N,9-tetraphenyldibenzothiophene-2,7-diamine;7-N-(9,9-dimethylfluoren-2-yl)-2-N,2-N-diphenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-(9,9-dimethylfluoren-3-yl)-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3ccc4c(c3)sc3ccc(N(c5ccccc5)c5ccccc5)cc34)ccc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)sc3ccc(N(c5ccccc5)c5ccccc5)cc34)cc21.c1ccc(-c2cc(N(c3ccccc3)c3ccc4sc5ccccc5c4c3)cc3sc4ccc(N(c5ccccc5)c5ccccc5)cc4c23)cc1
InChIInChI=1S/C51H38N2S.C48H32N2S2.C45H34N2S/c1-51(2)47-21-13-12-20-43(47)44-29-26-41(33-48(44)51)53(39-24-22-36(23-25-39)35-14-6-3-7-15-35)42-27-30-45-46-32-40(28-31-49(46)54-50(45)34-42)52(37-16-8-4-9-17-37)38-18-10-5-11-19-38;1-5-15-33(16-6-1)41-31-39(50(36-21-11-4-12-22-36)37-25-27-45-42(29-37)40-23-13-14-24-44(40)51-45)32-47-48(41)43-30-38(26-28-46(43)52-47)49(34-17-7-2-8-18-34)35-19-9-3-10-20-35;1-45(2)41-21-13-12-20-37(41)39-28-34(23-26-42(39)45)47(33-18-10-5-11-19-33)36-22-25-38-40-29-35(24-27-43(40)48-44(38)30-36)46(31-14-6-3-7-15-31)32-16-8-4-9-17-32/h3-34H,1-2H3;1-32H;3-30H,1-2H3
InChIKeyJFHZRBFPAJPMHA-UHFFFAOYSA-N
XLogP43.30
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds20
Heavy Atoms154
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002046.73
LogP ≤ 543.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 7-N-dibenzothiophen-2-yl-2-N,2-N,7-N,9-tetraphenyldibenzothiophene-2,7-diamine;7-N-(9,9-dimethylfluoren-2-yl)-2-N,2-N-diphenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-(9,9-dimethylfluoren-3-yl)-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine with MolForge

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Related Compounds

7-N-[8-(N-(9,9-dimethylfluoren-3-yl)-4-phenylanilino)dibenzothiophen-3-yl]-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;2-N,2-N-diphenyl-7-N-(4-phenylphenyl)-7-N-[8-(N-(4-phenylphenyl)anilino)dibenzothiophen-3-yl]dibenzothiophene-2,7-diamine
CID 157158501
1-N,5-di(dibenzothiophen-2-yl)-3-N-dibenzothiophen-3-yl-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,3-N,5-tri(dibenzothiophen-2-yl)-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)benzene-1,3-diamine;1-N,3-N,5-tri(dibenzothiophen-2-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 161015507
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-4-(4-phenylphenyl)dibenzothiophen-2-amine
CID 140919448
N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168839548
N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)dibenzothiophen-2-amine
CID 118405888
7-N-dibenzothiophen-2-yl-9-N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-2-N-naphthalen-1-yl-7-N,9-N-diphenyl-2-N-(4-phenylphenyl)indeno[2,1-h]fluorene-2,7,9-triamine
CID 155095534
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121323471
N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3-phenylaniline
CID 168839480
7-dibenzothiophen-2-yl-9,9-dimethyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 90261927
N,N-bis(9,9-dimethylfluoren-2-yl)-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-amine
CID 146647948
2-dibenzothiophen-2-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine;N-[4-(2-dibenzothiophen-2-yldibenzothiophen-3-yl)phenyl]-N,4-diphenylaniline;N-[4-(2-dibenzothiophen-2-yldibenzothiophen-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;2-dibenzothiophen-2-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine;2-dibenzothiophen-2-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-3-amine;N-[4-[2-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 163755516
N-(9,9-dimethyl-5-phenylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine
CID 155153832

Frequently Asked Questions

What is the IUPAC name of 7-N-dibenzothiophen-2-yl-2-N,2-N,7-N,9-tetraphenyldibenzothiophene-2,7-diamine;7-N-(9,9-dimethylfluoren-2-yl)-2-N,2-N-diphenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-(9,9-dimethylfluoren-3-yl)-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine?
The IUPAC name of 7-N-dibenzothiophen-2-yl-2-N,2-N,7-N,9-tetraphenyldibenzothiophene-2,7-diamine;7-N-(9,9-dimethylfluoren-2-yl)-2-N,2-N-diphenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-(9,9-dimethylfluoren-3-yl)-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine (CID 158900066) is 7-N-dibenzothiophen-2-yl-2-N,2-N,7-N,9-tetraphenyldibenzothiophene-2,7-diamine;7-N-(9,9-dimethylfluoren-2-yl)-2-N,2-N-diphenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-(9,9-dimethylfluoren-3-yl)-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine.
What is the SMILES notation for 7-N-dibenzothiophen-2-yl-2-N,2-N,7-N,9-tetraphenyldibenzothiophene-2,7-diamine;7-N-(9,9-dimethylfluoren-2-yl)-2-N,2-N-diphenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-(9,9-dimethylfluoren-3-yl)-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine?
The canonical SMILES for 7-N-dibenzothiophen-2-yl-2-N,2-N,7-N,9-tetraphenyldibenzothiophene-2,7-diamine;7-N-(9,9-dimethylfluoren-2-yl)-2-N,2-N-diphenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-(9,9-dimethylfluoren-3-yl)-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine is CC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3ccc4c(c3)sc3ccc(N(c5ccccc5)c5ccccc5)cc34)ccc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)sc3ccc(N(c5ccccc5)c5ccccc5)cc34)cc21.c1ccc(-c2cc(N(c3ccccc3)c3ccc4sc5ccccc5c4c3)cc3sc4ccc(N(c5ccccc5)c5ccccc5)cc4c23)cc1.
What is the InChIKey of 7-N-dibenzothiophen-2-yl-2-N,2-N,7-N,9-tetraphenyldibenzothiophene-2,7-diamine;7-N-(9,9-dimethylfluoren-2-yl)-2-N,2-N-diphenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-(9,9-dimethylfluoren-3-yl)-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine?
The InChIKey is JFHZRBFPAJPMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H38N2S.C48H32N2S2.C45H34N2S/c1-51(2)47-21-13-12-20-43(47)44-29-26-41(33-48(44)51)53(39-24-22-36(23-25-39)35-14-6-3-7-15-35)42-27-30-45-46-32-40(28-31-49(46)54-50(45)34-42)52(37-16-8-4-9-17-37)38-18-10-5-11-19-38;1-5-15-33(16-6-1)41-31-39(50(36-21-11-4-12-22-36)37-25-27-45-42(29-37)40-23-13-14-24-44(40)51-45)32-47-48(41)43-30-38(26-28-46(43)52-47)49(34-17-7-2-8-18-34)35-19-9-3-10-20-35;1-45(2)41-21-13-12-20-37(41)39-28-34(23-26-42(39)45)47(33-18-10-5-11-19-33)36-22-25-38-40-29-35(24-27-43(40)48-44(38)30-36)46(31-14-6-3-7-15-31)32-16-8-4-9-17-32/h3-34H,1-2H3;1-32H;3-30H,1-2H3.
What are the key properties of 7-N-dibenzothiophen-2-yl-2-N,2-N,7-N,9-tetraphenyldibenzothiophene-2,7-diamine;7-N-(9,9-dimethylfluoren-2-yl)-2-N,2-N-diphenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-(9,9-dimethylfluoren-3-yl)-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine?
7-N-dibenzothiophen-2-yl-2-N,2-N,7-N,9-tetraphenyldibenzothiophene-2,7-diamine;7-N-(9,9-dimethylfluoren-2-yl)-2-N,2-N-diphenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-(9,9-dimethylfluoren-3-yl)-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine has a molecular weight of 2046.73 g/mol, XLogP of 43.30, 20 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-dibenzothiophen-2-yl-2-N,2-N,7-N,9-tetraphenyldibenzothiophene-2,7-diamine;7-N-(9,9-dimethylfluoren-2-yl)-2-N,2-N-diphenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-(9,9-dimethylfluoren-3-yl)-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine is sourced from PubChem (CID 158900066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).