N-[4-[4-[[1]benzothiolo[2,3-b]pyridin-1-ium-1-yl(phenyl)methyl]phenyl]phenyl]-N-phenyldibenzothiophen-4-amine;N-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;5,5-dimethyl-3-N,7-N-dinaphthalen-1-yl-3-N,7-N-bis(4-phenylphenyl)dibenzothiophene-3,7-diamine

C254H178N11OS5+ — CID 158045746

About N-[4-[4-[[1]benzothiolo[2,3-b]pyridin-1-ium-1-yl(phenyl)methyl]phenyl]phenyl]-N-phenyldibenzothiophen-4-amine;N-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;5,5-dimethyl-3-N,7-N-dinaphthalen-1-yl-3-N,7-N-bis(4-phenylphenyl)dibenzothiophene-3,7-diamine

N-[4-[4-[[1]benzothiolo[2,3-b]pyridin-1-ium-1-yl(phenyl)methyl]phenyl]phenyl]-N-phenyldibenzothiophen-4-amine;N-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;5,5-dimethyl-3-N,7-N-dinaphthalen-1-yl-3-N,7-N-bis(4-phenylphenyl)dibenzothiophene-3,7-diamine (PubChem CID 158045746) has the molecular formula C254H178N11OS5+ and a molecular weight of 3560.63 g/mol. Its IUPAC name is N-[4-[4-[[1]benzothiolo[2,3-b]pyridin-1-ium-1-yl(phenyl)methyl]phenyl]phenyl]-N-phenyldibenzothiophen-4-amine;N-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;5,5-dimethyl-3-N,7-N-dinaphthalen-1-yl-3-N,7-N-bis(4-phenylphenyl)dibenzothiophene-3,7-diamine.

Molecular Properties

• Compound Name: N-[4-[4-[[1]benzothiolo[2,3-b]pyridin-1-ium-1-yl(phenyl)methyl]phenyl]phenyl]-N-phenyldibenzothiophen-4-amine;N-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;5,5-dimethyl-3-N,7-N-dinaphthalen-1-yl-3-N,7-N-bis(4-phenylphenyl)dibenzothiophene-3,7-diamine
• PubChem CID: 158045746
• Molecular Formula: C254H178N11OS5+
• Molecular Weight: 3560.63 g/mol
• Exact Mass: 3557.28
• IUPAC Name: N-[4-[4-[[1]benzothiolo[2,3-b]pyridin-1-ium-1-yl(phenyl)methyl]phenyl]phenyl]-N-phenyldibenzothiophen-4-amine;N-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;5,5-dimethyl-3-N,7-N-dinaphthalen-1-yl-3-N,7-N-bis(4-phenylphenyl)dibenzothiophene-3,7-diamine
• SMILES: CS1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3cccc4ccccc34)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4ccccc34)cc21.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)cc1.c1ccc(C(c2ccc(-c3ccc(N(c4ccccc4)c4cccc5c4sc4ccccc45)cc3)cc2)[n+]2cccc3c4ccccc4sc32)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5cc6ccccc6s5)cc4)cc3)cc2)c2ccc(-c3cc4ccccc4s3)cc2)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
• InChI: InChI=1S/C58H44N2S.C54H36N4.C52H36N2S2.C48H33N2S2.C42H29NO/c1-61(2)57-39-49(59(55-25-13-21-45-19-9-11-23-51(45)55)47-31-27-43(28-32-47)41-15-5-3-6-16-41)35-37-53(57)54-38-36-50(40-58(54)61)60(56-26-14-22-46-20-10-12-24-52(46)56)48-33-29-44(30-34-48)42-17-7-4-8-18-42;1-7-19-49-43(13-1)44-14-2-8-20-50(44)56(49)40-31-25-37(26-32-40)55(38-27-33-41(34-28-38)57-51-21-9-3-15-45(51)46-16-4-10-22-52(46)57)39-29-35-42(36-30-39)58-53-23-11-5-17-47(53)48-18-6-12-24-54(48)58;1-3-13-43(14-4-1)53(47-31-23-39(24-32-47)51-35-41-11-7-9-17-49(41)55-51)45-27-19-37(20-28-45)38-21-29-46(30-22-38)54(44-15-5-2-6-16-44)48-33-25-40(26-34-48)52-36-42-12-8-10-18-50(42)56-52;1-3-13-35(14-4-1)46(49-32-12-20-42-40-18-8-10-23-45(40)52-48(42)49)36-26-24-33(25-27-36)34-28-30-38(31-29-34)50(37-15-5-2-6-16-37)43-21-11-19-41-39-17-7-9-22-44(39)51-47(41)43;1-3-10-30(11-4-1)32-18-24-35(25-19-32)43(36-26-20-33(21-27-36)31-12-5-2-6-13-31)37-28-22-34(23-29-37)38-15-9-16-40-39-14-7-8-17-41(39)44-42(38)40/h3-40H,1-2H3;1-36H;1-36H;1-32,46H;1-29H/q;;;+1
• InChIKey: UJYQKVDHVRVOIQ-UHFFFAOYSA-N
• XLogP: 72.77
• TPSA: 54.49 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 36
• Heavy Atoms: 271
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3560.63
LogP ≤ 5	72.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[[1]benzothiolo[2,3-b]pyridin-1-ium-1-yl(phenyl)methyl]phenyl]phenyl]-N-phenyldibenzothiophen-4-amine;N-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;5,5-dimethyl-3-N,7-N-dinaphthalen-1-yl-3-N,7-N-bis(4-phenylphenyl)dibenzothiophene-3,7-diamine?

The IUPAC name of N-[4-[4-[[1]benzothiolo[2,3-b]pyridin-1-ium-1-yl(phenyl)methyl]phenyl]phenyl]-N-phenyldibenzothiophen-4-amine;N-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;5,5-dimethyl-3-N,7-N-dinaphthalen-1-yl-3-N,7-N-bis(4-phenylphenyl)dibenzothiophene-3,7-diamine (CID 158045746) is N-[4-[4-[[1]benzothiolo[2,3-b]pyridin-1-ium-1-yl(phenyl)methyl]phenyl]phenyl]-N-phenyldibenzothiophen-4-amine;N-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;5,5-dimethyl-3-N,7-N-dinaphthalen-1-yl-3-N,7-N-bis(4-phenylphenyl)dibenzothiophene-3,7-diamine.

What is the SMILES notation for N-[4-[4-[[1]benzothiolo[2,3-b]pyridin-1-ium-1-yl(phenyl)methyl]phenyl]phenyl]-N-phenyldibenzothiophen-4-amine;N-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;5,5-dimethyl-3-N,7-N-dinaphthalen-1-yl-3-N,7-N-bis(4-phenylphenyl)dibenzothiophene-3,7-diamine?

The canonical SMILES for N-[4-[4-[[1]benzothiolo[2,3-b]pyridin-1-ium-1-yl(phenyl)methyl]phenyl]phenyl]-N-phenyldibenzothiophen-4-amine;N-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;5,5-dimethyl-3-N,7-N-dinaphthalen-1-yl-3-N,7-N-bis(4-phenylphenyl)dibenzothiophene-3,7-diamine is CS1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3cccc4ccccc34)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4ccccc34)cc21.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)cc1.c1ccc(C(c2ccc(-c3ccc(N(c4ccccc4)c4cccc5c4sc4ccccc45)cc3)cc2)[n+]2cccc3c4ccccc4sc32)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5cc6ccccc6s5)cc4)cc3)cc2)c2ccc(-c3cc4ccccc4s3)cc2)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.

What is the InChIKey of N-[4-[4-[[1]benzothiolo[2,3-b]pyridin-1-ium-1-yl(phenyl)methyl]phenyl]phenyl]-N-phenyldibenzothiophen-4-amine;N-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;5,5-dimethyl-3-N,7-N-dinaphthalen-1-yl-3-N,7-N-bis(4-phenylphenyl)dibenzothiophene-3,7-diamine?

The InChIKey is UJYQKVDHVRVOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H44N2S.C54H36N4.C52H36N2S2.C48H33N2S2.C42H29NO/c1-61(2)57-39-49(59(55-25-13-21-45-19-9-11-23-51(45)55)47-31-27-43(28-32-47)41-15-5-3-6-16-41)35-37-53(57)54-38-36-50(40-58(54)61)60(56-26-14-22-46-20-10-12-24-52(46)56)48-33-29-44(30-34-48)42-17-7-4-8-18-42;1-7-19-49-43(13-1)44-14-2-8-20-50(44)56(49)40-31-25-37(26-32-40)55(38-27-33-41(34-28-38)57-51-21-9-3-15-45(51)46-16-4-10-22-52(46)57)39-29-35-42(36-30-39)58-53-23-11-5-17-47(53)48-18-6-12-24-54(48)58;1-3-13-43(14-4-1)53(47-31-23-39(24-32-47)51-35-41-11-7-9-17-49(41)55-51)45-27-19-37(20-28-45)38-21-29-46(30-22-38)54(44-15-5-2-6-16-44)48-33-25-40(26-34-48)52-36-42-12-8-10-18-50(42)56-52;1-3-13-35(14-4-1)46(49-32-12-20-42-40-18-8-10-23-45(40)52-48(42)49)36-26-24-33(25-27-36)34-28-30-38(31-29-34)50(37-15-5-2-6-16-37)43-21-11-19-41-39-17-7-9-22-44(39)51-47(41)43;1-3-10-30(11-4-1)32-18-24-35(25-19-32)43(36-26-20-33(21-27-36)31-12-5-2-6-13-31)37-28-22-34(23-29-37)38-15-9-16-40-39-14-7-8-17-41(39)44-42(38)40/h3-40H,1-2H3;1-36H;1-36H;1-32,46H;1-29H/q;;;+1;.

What are the key properties of N-[4-[4-[[1]benzothiolo[2,3-b]pyridin-1-ium-1-yl(phenyl)methyl]phenyl]phenyl]-N-phenyldibenzothiophen-4-amine;N-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;5,5-dimethyl-3-N,7-N-dinaphthalen-1-yl-3-N,7-N-bis(4-phenylphenyl)dibenzothiophene-3,7-diamine?

N-[4-[4-[[1]benzothiolo[2,3-b]pyridin-1-ium-1-yl(phenyl)methyl]phenyl]phenyl]-N-phenyldibenzothiophen-4-amine;N-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;5,5-dimethyl-3-N,7-N-dinaphthalen-1-yl-3-N,7-N-bis(4-phenylphenyl)dibenzothiophene-3,7-diamine has a molecular weight of 3560.63 g/mol, XLogP of 72.77, 36 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-[[1]benzothiolo[2,3-b]pyridin-1-ium-1-yl(phenyl)methyl]phenyl]phenyl]-N-phenyldibenzothiophen-4-amine;N-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;5,5-dimethyl-3-N,7-N-dinaphthalen-1-yl-3-N,7-N-bis(4-phenylphenyl)dibenzothiophene-3,7-diamine is sourced from PubChem (CID 158045746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).