[4-(4-dibenzofuran-4-yl-N-dibenzothiophen-3-ylanilino)-8-(N-pyridin-2-ylanilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[4-[(9,9-dimethylfluoren-3-yl)-pyridin-3-ylamino]-8-(3-methyl-N-(3-phenylphenyl)anilino)dibenzofuran-2-yl] trifluoromethanesulfonate;[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)-8-(N-(4-phenylquinazolin-2-yl)anilino)dibenzofuran-2-yl] trifluoromethanesulfonate

C169H110F9N11O12S5 — CID 159223202

IUPAC[4-(4-dibenzofuran-4-yl-N-dibenzothiophen-3-ylanilino)-8-(N-pyridin-2-ylanilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[4-[(9,9-dimethylfluoren-3-yl)-pyridin-3-ylamino]-8-(3-methyl-N-(3-phenylphenyl)anilino)dibenzofuran-2-yl] trifluoromethanesulfonate;[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)-8-(N-(4-phenylquinazolin-2-yl)anilino)dibenzofuran-2-yl] trifluoromethanesulfonate
SMILESCc1cccc(N(c2cccc(-c3ccccc3)c2)c2ccc3oc4c(N(c5cccnc5)c5ccc6c(c5)-c5ccccc5C6(C)C)cc(OS(=O)(=O)C(F)(F)F)cc4c3c2)c1.O=S(=O)(Oc1cc(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2ccc3c(c2)sc2ccccc23)c2sc3ccc(N(c4ccccc4)c4ccccn4)cc3c2c1)C(F)(F)F.O=S(=O)(Oc1cc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2oc3ccc(N(c4ccccc4)c4nc(-c5ccccc5)c5ccccc5n4)cc3c2c1)C(F)(F)F
InChIInChI=1S/C63H40F3N5O4S.C54H32F3N3O4S3.C52H38F3N3O4S/c64-63(65,66)76(72,73)75-49-39-54-53-38-48(70(44-21-9-3-10-22-44)62-67-55-27-15-13-26-51(55)60(68-62)43-19-7-2-8-20-43)34-36-59(53)74-61(54)58(40-49)69(46-31-29-42(30-32-46)41-17-5-1-6-18-41)47-33-35-57-52(37-47)50-25-14-16-28-56(50)71(57)45-23-11-4-12-24-45;55-54(56,57)67(61,62)64-38-31-45-44-29-36(60(34-11-2-1-3-12-34)51-19-8-9-28-58-51)25-27-49(44)66-53(45)46(32-38)59(37-24-26-42-41-14-5-7-18-48(41)65-50(42)30-37)35-22-20-33(21-23-35)39-15-10-16-43-40-13-4-6-17-47(40)63-52(39)43;1-33-12-9-16-36(26-33)57(37-17-10-15-35(27-37)34-13-5-4-6-14-34)38-22-24-49-44(29-38)45-30-41(62-63(59,60)52(53,54)55)31-48(50(45)61-49)58(40-18-11-25-56-32-40)39-21-23-47-43(28-39)42-19-7-8-20-46(42)51(47,2)3/h1-40H;1-32H;4-32H,1-3H3
InChIKeyKRYNXNKXDDNFHU-UHFFFAOYSA-N
MW2818.12 g/mol
LogP48.11
Rot. Bonds29

About [4-(4-dibenzofuran-4-yl-N-dibenzothiophen-3-ylanilino)-8-(N-pyridin-2-ylanilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[4-[(9,9-dimethylfluoren-3-yl)-pyridin-3-ylamino]-8-(3-methyl-N-(3-phenylphenyl)anilino)dibenzofuran-2-yl] trifluoromethanesulfonate;[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)-8-(N-(4-phenylquinazolin-2-yl)anilino)dibenzofuran-2-yl] trifluoromethanesulfonate

[4-(4-dibenzofuran-4-yl-N-dibenzothiophen-3-ylanilino)-8-(N-pyridin-2-ylanilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[4-[(9,9-dimethylfluoren-3-yl)-pyridin-3-ylamino]-8-(3-methyl-N-(3-phenylphenyl)anilino)dibenzofuran-2-yl] trifluoromethanesulfonate;[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)-8-(N-(4-phenylquinazolin-2-yl)anilino)dibenzofuran-2-yl] trifluoromethanesulfonate (PubChem CID 159223202) has the molecular formula C169H110F9N11O12S5 and a molecular weight of 2818.12 g/mol. Its IUPAC name is [4-(4-dibenzofuran-4-yl-N-dibenzothiophen-3-ylanilino)-8-(N-pyridin-2-ylanilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[4-[(9,9-dimethylfluoren-3-yl)-pyridin-3-ylamino]-8-(3-methyl-N-(3-phenylphenyl)anilino)dibenzofuran-2-yl] trifluoromethanesulfonate;[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)-8-(N-(4-phenylquinazolin-2-yl)anilino)dibenzofuran-2-yl] trifluoromethanesulfonate.

Molecular Properties

Compound Name[4-(4-dibenzofuran-4-yl-N-dibenzothiophen-3-ylanilino)-8-(N-pyridin-2-ylanilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[4-[(9,9-dimethylfluoren-3-yl)-pyridin-3-ylamino]-8-(3-methyl-N-(3-phenylphenyl)anilino)dibenzofuran-2-yl] trifluoromethanesulfonate;[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)-8-(N-(4-phenylquinazolin-2-yl)anilino)dibenzofuran-2-yl] trifluoromethanesulfonate
PubChem CID159223202
Molecular FormulaC169H110F9N11O12S5
Molecular Weight2818.12 g/mol
Exact Mass2815.68
IUPAC Name[4-(4-dibenzofuran-4-yl-N-dibenzothiophen-3-ylanilino)-8-(N-pyridin-2-ylanilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[4-[(9,9-dimethylfluoren-3-yl)-pyridin-3-ylamino]-8-(3-methyl-N-(3-phenylphenyl)anilino)dibenzofuran-2-yl] trifluoromethanesulfonate;[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)-8-(N-(4-phenylquinazolin-2-yl)anilino)dibenzofuran-2-yl] trifluoromethanesulfonate
SMILESCc1cccc(N(c2cccc(-c3ccccc3)c2)c2ccc3oc4c(N(c5cccnc5)c5ccc6c(c5)-c5ccccc5C6(C)C)cc(OS(=O)(=O)C(F)(F)F)cc4c3c2)c1.O=S(=O)(Oc1cc(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2ccc3c(c2)sc2ccccc23)c2sc3ccc(N(c4ccccc4)c4ccccn4)cc3c2c1)C(F)(F)F.O=S(=O)(Oc1cc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2oc3ccc(N(c4ccccc4)c4nc(-c5ccccc5)c5ccccc5n4)cc3c2c1)C(F)(F)F
InChIInChI=1S/C63H40F3N5O4S.C54H32F3N3O4S3.C52H38F3N3O4S/c64-63(65,66)76(72,73)75-49-39-54-53-38-48(70(44-21-9-3-10-22-44)62-67-55-27-15-13-26-51(55)60(68-62)43-19-7-2-8-20-43)34-36-59(53)74-61(54)58(40-49)69(46-31-29-42(30-32-46)41-17-5-1-6-18-41)47-33-35-57-52(37-47)50-25-14-16-28-56(50)71(57)45-23-11-4-12-24-45;55-54(56,57)67(61,62)64-38-31-45-44-29-36(60(34-11-2-1-3-12-34)51-19-8-9-28-58-51)25-27-49(44)66-53(45)46(32-38)59(37-24-26-42-41-14-5-7-18-48(41)65-50(42)30-37)35-22-20-33(21-23-35)39-15-10-16-43-40-13-4-6-17-47(40)63-52(39)43;1-33-12-9-16-36(26-33)57(37-17-10-15-35(27-37)34-13-5-4-6-14-34)38-22-24-49-44(29-38)45-30-41(62-63(59,60)52(53,54)55)31-48(50(45)61-49)58(40-18-11-25-56-32-40)39-21-23-47-43(28-39)42-19-7-8-20-46(42)51(47,2)3/h1-40H;1-32H;4-32H,1-3H3
InChIKeyKRYNXNKXDDNFHU-UHFFFAOYSA-N
XLogP48.11
TPSA245.46 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds29
Heavy Atoms206
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002818.12
LogP ≤ 548.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze [4-(4-dibenzofuran-4-yl-N-dibenzothiophen-3-ylanilino)-8-(N-pyridin-2-ylanilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[4-[(9,9-dimethylfluoren-3-yl)-pyridin-3-ylamino]-8-(3-methyl-N-(3-phenylphenyl)anilino)dibenzofuran-2-yl] trifluoromethanesulfonate;[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)-8-(N-(4-phenylquinazolin-2-yl)anilino)dibenzofuran-2-yl] trifluoromethanesulfonate with MolForge

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Related Compounds

[4-[4a,9b-dihydrodibenzothiophen-3-yl(dibenzothiophen-2-yl)amino]-8-(9,9-dimethylfluoren-3-yl)dibenzothiophen-2-yl] trifluoromethanesulfonate;[8-(9-dibenzothiophen-4-ylcarbazol-3-yl)-4-(N-phenylanilino)dibenzofuran-2-yl] trifluoromethanesulfonate;[8-(9,9-dimethylfluoren-3-yl)-4-(N-(9,9-dimethylfluoren-3-yl)anilino)dibenzofuran-2-yl] trifluoromethanesulfonate;[8-(9,9-dimethylfluoren-3-yl)-4-(N-phenylanilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[8-(9-methyl-9-phenylfluoren-3-yl)-4-(N-(9-phenylcarbazol-3-yl)anilino)dibenzofuran-2-yl] trifluoromethanesulfonate;[4-(N-(4-phenylphenyl)anilino)-8-(9-pyridin-3-ylcarbazol-3-yl)dibenzofuran-2-yl] trifluoromethanesulfonate
CID 158359738
[8-(9-dibenzothiophen-4-ylcarbazol-1-yl)-4-(N-phenylanilino)dibenzofuran-2-yl] trifluoromethanesulfonate;[4-[dibenzothiophen-2-yl(dibenzothiophen-3-yl)amino]-8-(9,9-dimethylfluoren-1-yl)dibenzothiophen-2-yl] trifluoromethanesulfonate;[8-(9,9-dimethylfluoren-1-yl)-4-(N-phenylanilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[4-(N-(4-phenylphenyl)anilino)-8-(9-pyridin-3-ylcarbazol-1-yl)dibenzofuran-2-yl] trifluoromethanesulfonate
CID 158485748
[4-[dibenzothiophen-2-yl(dibenzothiophen-3-yl)amino]-8-(9,9-dimethylfluoren-3-yl)dibenzothiophen-2-yl] trifluoromethanesulfonate;[8-(9,9-dimethylfluoren-3-yl)-4-(N-phenylanilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[4-(N-(4-phenylphenyl)anilino)-8-(9-pyridin-3-ylcarbazol-3-yl)dibenzofuran-2-yl] trifluoromethanesulfonate
CID 159461813
[8-(N-(9,9-dimethylfluoren-2-yl)anilino)-4-(N-(9-naphthalen-1-ylcarbazol-2-yl)anilino)dibenzofuran-2-yl] trifluoromethanesulfonate;[4-(N-naphtho[1,2-b][1]benzothiol-8-ylanilino)-8-(N-(5-phenylpyrido[3,2-b]indol-7-yl)anilino)dibenzothiophen-2-yl] trifluoromethanesulfonate
CID 160995321
[8-(9-dibenzothiophen-4-ylcarbazol-1-yl)-4-(N-phenylanilino)dibenzofuran-2-yl] trifluoromethanesulfonate;[4-[dibenzothiophen-2-yl(dibenzothiophen-3-yl)amino]-8-(9,9-dimethylfluoren-1-yl)dibenzothiophen-2-yl] trifluoromethanesulfonate;[8-(9,9-dimethylfluoren-1-yl)-4-(N-phenylanilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[4-(N-phenylanilino)-8-(9-phenylcarbazol-1-yl)dibenzothiophen-2-yl] trifluoromethanesulfonate;[8-(9-phenylcarbazol-1-yl)-4-(N-(4-phenylphenyl)anilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[4-(N-(4-phenylphenyl)anilino)-8-(9-pyridin-3-ylcarbazol-1-yl)dibenzofuran-2-yl] trifluoromethanesulfonate
CID 161006684
24,24-Dimethyl-3-(4-phenylquinazolin-2-yl)-3,12,15-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-phenyl-3-(4-phenylquinazolin-2-yl)-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylquinazolin-2-yl)-3-oxa-12,15,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylquinazolin-2-yl)-3-thia-12,15,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 157065558
CID 157426996
CID 157426996
6-N-([1]benzothiolo[3,2-d]pyrimidin-2-yl)-2-N,6-N-diphenyl-2-N-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)naphtho[2,3-b][1]benzofuran-2,6-diamine;6-N,11-N-bis(6-tert-butyldibenzofuran-4-yl)-6-N,11-N-diphenylnaphtho[3,2-b][1]benzofuran-6,11-diamine;5-N,10-N-bis(3,5-difluorophenyl)-11,11-dimethyl-5-N,10-N-diphenylbenzo[b]fluorene-5,10-diamine;2-N,9-N-bis(3,4-dimethylphenyl)-2-N,9-N-bis(3,5-dimethylphenyl)naphtho[2,3-b][1]benzofuran-2,9-diamine;2-N,8-N-bis(2,6-diphenyl-3-pyridinyl)-2-N,8-N-diphenylspiro[benzo[b]fluorene-11,9'-xanthene]-2,8-diamine;N-[11,11-bis(4-methylphenyl)-2-[phenyl(quinolin-2-yl)methyl]benzo[b]fluoren-8-yl]-N-phenylquinolin-2-amine;3-N',6-N'-di(dibenzofuran-4-yl)-4-fluoro-3-N',6-N'-diphenylspiro[benzo[b]fluorene-11,9'-fluorene]-3',6'-diamine;3-N,8-N-diphenyl-3-N,8-N-bis(2-phenylphenyl)naphtho[3,2-b][1]benzothiole-3,8-diamine
CID 157429056
2-N,9-N-bis(3,4-dimethylphenyl)-2-N,9-N-bis(3,5-dimethylphenyl)naphtho[2,3-b][1]benzofuran-2,9-diamine;2-N,8-N-bis[4-(2-methylpropyl)phenyl]-2-N,8-N-bis(3-propan-2-ylphenyl)naphtho[1,2-b][1]benzothiole-2,8-diamine;11-N-(6-tert-butyldibenzofuran-4-yl)-6-N-dibenzofuran-4-yl-6-N,11-N-diphenylnaphtho[3,2-b][1]benzofuran-6,11-diamine;2-N,6-N-diphenyl-2-N,6-N-bis(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)naphtho[2,3-b][1]benzofuran-2,6-diamine;3-N,8-N-diphenyl-3-N,8-N-bis(2-phenylphenyl)naphtho[3,2-b][1]benzothiole-3,8-diamine;2-N-(2-methyl-3-pyridinyl)-9-N-(4-methyl-3-pyridinyl)-2-N,9-N-dinaphthalen-2-ylnaphtho[2,3-b][1]benzothiole-2,9-diamine;2-N,2-N,5-N,8-N-tetraphenyl-5-N,8-N-bis(3-phenylphenyl)naphtho[1,2-b][1]benzothiole-2,5,8-triamine
CID 157432752
6-N,11-N-bis(6-tert-butyldibenzofuran-4-yl)-6-N,11-N-diphenylnaphtho[3,2-b][1]benzofuran-6,11-diamine;4-N,11-N-bis(4-tert-butylphenyl)-4-N,11-N-bis[3-(3-phenylphenyl)phenyl]naphtho[3,2-b][1]benzothiole-4,11-diamine;2-N,9-N-bis(3,4-dimethylphenyl)-2-N,9-N-bis(3,5-dimethylphenyl)naphtho[2,3-b][1]benzofuran-2,9-diamine;8-N,8-N-bis(2-fluorophenyl)-3-N-phenyl-3-N-[4-(N-phenylanilino)phenyl]naphtho[3,2-b][1]benzothiole-3,8-diamine;2-N,6-N-diphenyl-2-N,6-N-bis(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)naphtho[2,3-b][1]benzofuran-2,6-diamine;3-N,8-N-diphenyl-3-N,8-N-bis(2-phenylphenyl)naphtho[3,2-b][1]benzothiole-3,8-diamine;methane;2-N-(2-methyl-3-pyridinyl)-9-N-(4-methyl-3-pyridinyl)-2-N,9-N-dinaphthalen-2-ylnaphtho[2,3-b][1]benzothiole-2,9-diamine;2-N,2-N,5-N,8-N-tetraphenyl-5-N,8-N-bis(3-phenylphenyl)naphtho[1,2-b][1]benzothiole-2,5,8-triamine
CID 157743553
CID 158035546
CID 158035546
4-N-(4-dibenzofuran-4-ylphenyl)-4-N-dibenzothiophen-3-yl-2-N-naphthalen-2-yl-2-N,8-N-diphenyl-8-N-pyridin-2-yldibenzothiophene-2,4,8-triamine;4-N-dibenzothiophen-4-yl-2-N-naphthalen-1-yl-8-N-phenanthren-9-yl-2-N,8-N-diphenyl-4-N-pyridin-3-yldibenzothiophene-2,4,8-triamine;4-N-(9,9-dimethylfluoren-3-yl)-8-N-(3-methylphenyl)-2-N-phenyl-2-N-(4-phenylnaphthalen-1-yl)-8-N-(3-phenylphenyl)-4-N-pyridin-3-yldibenzofuran-2,4,8-triamine;2-N-(4-naphthalen-1-ylphenyl)-2-N,8-N-diphenyl-4-N-(9-phenylcarbazol-3-yl)-4-N-(4-phenylphenyl)-8-N-(4-phenylquinazolin-2-yl)dibenzofuran-2,4,8-triamine
CID 158123500

Frequently Asked Questions

What is the IUPAC name of [4-(4-dibenzofuran-4-yl-N-dibenzothiophen-3-ylanilino)-8-(N-pyridin-2-ylanilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[4-[(9,9-dimethylfluoren-3-yl)-pyridin-3-ylamino]-8-(3-methyl-N-(3-phenylphenyl)anilino)dibenzofuran-2-yl] trifluoromethanesulfonate;[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)-8-(N-(4-phenylquinazolin-2-yl)anilino)dibenzofuran-2-yl] trifluoromethanesulfonate?
The IUPAC name of [4-(4-dibenzofuran-4-yl-N-dibenzothiophen-3-ylanilino)-8-(N-pyridin-2-ylanilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[4-[(9,9-dimethylfluoren-3-yl)-pyridin-3-ylamino]-8-(3-methyl-N-(3-phenylphenyl)anilino)dibenzofuran-2-yl] trifluoromethanesulfonate;[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)-8-(N-(4-phenylquinazolin-2-yl)anilino)dibenzofuran-2-yl] trifluoromethanesulfonate (CID 159223202) is [4-(4-dibenzofuran-4-yl-N-dibenzothiophen-3-ylanilino)-8-(N-pyridin-2-ylanilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[4-[(9,9-dimethylfluoren-3-yl)-pyridin-3-ylamino]-8-(3-methyl-N-(3-phenylphenyl)anilino)dibenzofuran-2-yl] trifluoromethanesulfonate;[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)-8-(N-(4-phenylquinazolin-2-yl)anilino)dibenzofuran-2-yl] trifluoromethanesulfonate.
What is the SMILES notation for [4-(4-dibenzofuran-4-yl-N-dibenzothiophen-3-ylanilino)-8-(N-pyridin-2-ylanilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[4-[(9,9-dimethylfluoren-3-yl)-pyridin-3-ylamino]-8-(3-methyl-N-(3-phenylphenyl)anilino)dibenzofuran-2-yl] trifluoromethanesulfonate;[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)-8-(N-(4-phenylquinazolin-2-yl)anilino)dibenzofuran-2-yl] trifluoromethanesulfonate?
The canonical SMILES for [4-(4-dibenzofuran-4-yl-N-dibenzothiophen-3-ylanilino)-8-(N-pyridin-2-ylanilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[4-[(9,9-dimethylfluoren-3-yl)-pyridin-3-ylamino]-8-(3-methyl-N-(3-phenylphenyl)anilino)dibenzofuran-2-yl] trifluoromethanesulfonate;[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)-8-(N-(4-phenylquinazolin-2-yl)anilino)dibenzofuran-2-yl] trifluoromethanesulfonate is Cc1cccc(N(c2cccc(-c3ccccc3)c2)c2ccc3oc4c(N(c5cccnc5)c5ccc6c(c5)-c5ccccc5C6(C)C)cc(OS(=O)(=O)C(F)(F)F)cc4c3c2)c1.O=S(=O)(Oc1cc(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2ccc3c(c2)sc2ccccc23)c2sc3ccc(N(c4ccccc4)c4ccccn4)cc3c2c1)C(F)(F)F.O=S(=O)(Oc1cc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2oc3ccc(N(c4ccccc4)c4nc(-c5ccccc5)c5ccccc5n4)cc3c2c1)C(F)(F)F.
What is the InChIKey of [4-(4-dibenzofuran-4-yl-N-dibenzothiophen-3-ylanilino)-8-(N-pyridin-2-ylanilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[4-[(9,9-dimethylfluoren-3-yl)-pyridin-3-ylamino]-8-(3-methyl-N-(3-phenylphenyl)anilino)dibenzofuran-2-yl] trifluoromethanesulfonate;[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)-8-(N-(4-phenylquinazolin-2-yl)anilino)dibenzofuran-2-yl] trifluoromethanesulfonate?
The InChIKey is KRYNXNKXDDNFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H40F3N5O4S.C54H32F3N3O4S3.C52H38F3N3O4S/c64-63(65,66)76(72,73)75-49-39-54-53-38-48(70(44-21-9-3-10-22-44)62-67-55-27-15-13-26-51(55)60(68-62)43-19-7-2-8-20-43)34-36-59(53)74-61(54)58(40-49)69(46-31-29-42(30-32-46)41-17-5-1-6-18-41)47-33-35-57-52(37-47)50-25-14-16-28-56(50)71(57)45-23-11-4-12-24-45;55-54(56,57)67(61,62)64-38-31-45-44-29-36(60(34-11-2-1-3-12-34)51-19-8-9-28-58-51)25-27-49(44)66-53(45)46(32-38)59(37-24-26-42-41-14-5-7-18-48(41)65-50(42)30-37)35-22-20-33(21-23-35)39-15-10-16-43-40-13-4-6-17-47(40)63-52(39)43;1-33-12-9-16-36(26-33)57(37-17-10-15-35(27-37)34-13-5-4-6-14-34)38-22-24-49-44(29-38)45-30-41(62-63(59,60)52(53,54)55)31-48(50(45)61-49)58(40-18-11-25-56-32-40)39-21-23-47-43(28-39)42-19-7-8-20-46(42)51(47,2)3/h1-40H;1-32H;4-32H,1-3H3.
What are the key properties of [4-(4-dibenzofuran-4-yl-N-dibenzothiophen-3-ylanilino)-8-(N-pyridin-2-ylanilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[4-[(9,9-dimethylfluoren-3-yl)-pyridin-3-ylamino]-8-(3-methyl-N-(3-phenylphenyl)anilino)dibenzofuran-2-yl] trifluoromethanesulfonate;[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)-8-(N-(4-phenylquinazolin-2-yl)anilino)dibenzofuran-2-yl] trifluoromethanesulfonate?
[4-(4-dibenzofuran-4-yl-N-dibenzothiophen-3-ylanilino)-8-(N-pyridin-2-ylanilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[4-[(9,9-dimethylfluoren-3-yl)-pyridin-3-ylamino]-8-(3-methyl-N-(3-phenylphenyl)anilino)dibenzofuran-2-yl] trifluoromethanesulfonate;[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)-8-(N-(4-phenylquinazolin-2-yl)anilino)dibenzofuran-2-yl] trifluoromethanesulfonate has a molecular weight of 2818.12 g/mol, XLogP of 48.11, 29 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-dibenzofuran-4-yl-N-dibenzothiophen-3-ylanilino)-8-(N-pyridin-2-ylanilino)dibenzothiophen-2-yl] trifluoromethanesulfonate;[4-[(9,9-dimethylfluoren-3-yl)-pyridin-3-ylamino]-8-(3-methyl-N-(3-phenylphenyl)anilino)dibenzofuran-2-yl] trifluoromethanesulfonate;[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)-8-(N-(4-phenylquinazolin-2-yl)anilino)dibenzofuran-2-yl] trifluoromethanesulfonate is sourced from PubChem (CID 159223202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).