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

C135H94N6S4 — CID 157158501

IUPAC7-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
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4sc5cc(N(c6ccccc6)c6ccc7c(c6)sc6ccc(N(c8ccccc8)c8ccccc8)cc67)ccc5c4c3)ccc21.c1ccc(-c2ccc(N(c3ccc4c(c3)sc3ccc(N(c5ccccc5)c5ccccc5)cc34)c3ccc4c(c3)sc3ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc34)cc2)cc1
InChIInChI=1S/C69H49N3S2.C66H45N3S2/c1-69(2)63-26-16-15-25-57(63)60-41-52(33-38-64(60)69)72(51-29-27-47(28-30-51)46-17-7-3-8-18-46)54-35-40-66-62(43-54)59-37-32-56(45-68(59)74-66)71(50-23-13-6-14-24-50)55-31-36-58-61-42-53(34-39-65(61)73-67(58)44-55)70(48-19-9-4-10-20-48)49-21-11-5-12-22-49;1-6-16-46(17-7-1)48-26-30-53(31-27-48)68(52-24-14-5-15-25-52)56-37-41-64-62(43-56)60-39-35-58(45-66(60)71-64)69(54-32-28-49(29-33-54)47-18-8-2-9-19-47)57-34-38-59-61-42-55(36-40-63(61)70-65(59)44-57)67(50-20-10-3-11-21-50)51-22-12-4-13-23-51/h3-45H,1-2H3;1-45H
InChIKeyAMCBYZPPIISDDL-UHFFFAOYSA-N
MW1928.55 g/mol
LogP40.97
Rot. Bonds21

About 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

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 (PubChem CID 157158501) has the molecular formula C135H94N6S4 and a molecular weight of 1928.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-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
PubChem CID157158501
Molecular FormulaC135H94N6S4
Molecular Weight1928.55 g/mol
Exact Mass1926.64
IUPAC Name7-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
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4sc5cc(N(c6ccccc6)c6ccc7c(c6)sc6ccc(N(c8ccccc8)c8ccccc8)cc67)ccc5c4c3)ccc21.c1ccc(-c2ccc(N(c3ccc4c(c3)sc3ccc(N(c5ccccc5)c5ccccc5)cc34)c3ccc4c(c3)sc3ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc34)cc2)cc1
InChIInChI=1S/C69H49N3S2.C66H45N3S2/c1-69(2)63-26-16-15-25-57(63)60-41-52(33-38-64(60)69)72(51-29-27-47(28-30-51)46-17-7-3-8-18-46)54-35-40-66-62(43-54)59-37-32-56(45-68(59)74-66)71(50-23-13-6-14-24-50)55-31-36-58-61-42-53(34-39-65(61)73-67(58)44-55)70(48-19-9-4-10-20-48)49-21-11-5-12-22-49;1-6-16-46(17-7-1)48-26-30-53(31-27-48)68(52-24-14-5-15-25-52)56-37-41-64-62(43-56)60-39-35-58(45-66(60)71-64)69(54-32-28-49(29-33-54)47-18-8-2-9-19-47)57-34-38-59-61-42-55(36-40-63(61)70-65(59)44-57)67(50-20-10-3-11-21-50)51-22-12-4-13-23-51/h3-45H,1-2H3;1-45H
InChIKeyAMCBYZPPIISDDL-UHFFFAOYSA-N
XLogP40.97
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds21
Heavy Atoms145
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001928.55
LogP ≤ 540.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

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
N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3-phenylaniline
CID 168839480
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
3-N-dibenzothiophen-2-yl-3-N-(9,9-dimethylfluoren-3-yl)-1-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 155096827
N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)triphenylen-2-amine
CID 176605475
8-N-(9,9-dimethylfluoren-2-yl)-2-N-phenyl-2-N-(3-phenylphenyl)-8-N-[3-(N-(3-phenylphenyl)anilino)phenyl]dibenzothiophene-2,8-diamine
CID 131979856
9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-3-amine
CID 121285785
N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168839548
N-(2-dibenzothiophen-3-yl-3-phenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 170666062
N-(2-tert-butyl-4-phenylphenyl)-N-(9,9-dimethylfluoren-3-yl)dibenzothiophen-2-amine
CID 176781221
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-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]-4-phenylaniline
CID 122493609

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4sc5cc(N(c6ccccc6)c6ccc7c(c6)sc6ccc(N(c8ccccc8)c8ccccc8)cc67)ccc5c4c3)ccc21.c1ccc(-c2ccc(N(c3ccc4c(c3)sc3ccc(N(c5ccccc5)c5ccccc5)cc34)c3ccc4c(c3)sc3ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc34)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is AMCBYZPPIISDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H49N3S2.C66H45N3S2/c1-69(2)63-26-16-15-25-57(63)60-41-52(33-38-64(60)69)72(51-29-27-47(28-30-51)46-17-7-3-8-18-46)54-35-40-66-62(43-54)59-37-32-56(45-68(59)74-66)71(50-23-13-6-14-24-50)55-31-36-58-61-42-53(34-39-65(61)73-67(58)44-55)70(48-19-9-4-10-20-48)49-21-11-5-12-22-49;1-6-16-46(17-7-1)48-26-30-53(31-27-48)68(52-24-14-5-15-25-52)56-37-41-64-62(43-56)60-39-35-58(45-66(60)71-64)69(54-32-28-49(29-33-54)47-18-8-2-9-19-47)57-34-38-59-61-42-55(36-40-63(61)70-65(59)44-57)67(50-20-10-3-11-21-50)51-22-12-4-13-23-51/h3-45H,1-2H3;1-45H.
What are the key properties of 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?
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 has a molecular weight of 1928.55 g/mol, XLogP of 40.97, 21 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157158501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).