N-[4-[3-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-10-yl)phenyl]phenyl]-N-phenanthren-2-yldibenzothiophen-2-amine;N-[4-[4-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-10-yl)phenyl]phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline;N-[3-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-10-yl)phenyl]-N,9,9-triphenylfluoren-2-amine

C195H131N9S4 — CID 162182980

IUPACN-[4-[3-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-10-yl)phenyl]phenyl]-N-phenanthren-2-yldibenzothiophen-2-amine;N-[4-[4-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-10-yl)phenyl]phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline;N-[3-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-10-yl)phenyl]-N,9,9-triphenylfluoren-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cccc6c5c5c(n6-c6ccccc6)N(c6ccccc6)c6ccccc6S5)cc4)cc3)c3ccc(-c4ccccc4-c4ccccc4)cc3)cc2)cc1.c1ccc(N(c2cccc(-c3cccc4c3c3c(n4-c4ccccc4)N(c4ccccc4)c4ccccc4S3)c2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.c1ccc(N2c3ccccc3Sc3c2n(-c2ccccc2)c2cccc(-c4cccc(-c5ccc(N(c6ccc7c(ccc8ccccc87)c6)c6ccc7sc8ccccc8c7c6)cc5)c4)c32)cc1
InChIInChI=1S/C68H47N3S.C64H41N3S2.C63H43N3S/c1-5-18-48(19-6-1)50-36-42-57(43-37-50)69(59-46-40-53(41-47-59)61-27-14-13-26-60(61)52-20-7-2-8-21-52)58-44-38-51(39-45-58)49-32-34-54(35-33-49)62-28-17-30-64-66(62)67-68(71(64)56-24-11-4-12-25-56)70(55-22-9-3-10-23-55)63-29-15-16-31-65(63)72-67;1-3-18-47(19-4-1)66-57-25-10-12-28-61(57)69-63-62-54(24-14-26-58(62)67(64(63)66)48-20-5-2-6-21-48)45-17-13-16-44(39-45)42-31-33-49(34-32-42)65(51-36-38-60-56(41-51)55-23-9-11-27-59(55)68-60)50-35-37-53-46(40-50)30-29-43-15-7-8-22-52(43)53;1-6-23-45(24-7-1)63(46-25-8-2-9-26-46)55-36-17-16-34-53(55)54-41-40-51(43-56(54)63)64(47-27-10-3-11-28-47)50-33-20-22-44(42-50)52-35-21-38-58-60(52)61-62(66(58)49-31-14-5-15-32-49)65(48-29-12-4-13-30-48)57-37-18-19-39-59(57)67-61/h1-47H;1-41H;1-43H
InChIKeyZPHCUDNBWKFEET-UHFFFAOYSA-N
MW2728.52 g/mol
LogP55.48
Rot. Bonds25

About N-[4-[3-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-10-yl)phenyl]phenyl]-N-phenanthren-2-yldibenzothiophen-2-amine;N-[4-[4-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-10-yl)phenyl]phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline;N-[3-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-10-yl)phenyl]-N,9,9-triphenylfluoren-2-amine

N-[4-[3-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-10-yl)phenyl]phenyl]-N-phenanthren-2-yldibenzothiophen-2-amine;N-[4-[4-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-10-yl)phenyl]phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline;N-[3-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-10-yl)phenyl]-N,9,9-triphenylfluoren-2-amine (PubChem CID 162182980) has the molecular formula C195H131N9S4 and a molecular weight of 2728.52 g/mol. Its IUPAC name is N-[4-[3-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-10-yl)phenyl]phenyl]-N-phenanthren-2-yldibenzothiophen-2-amine;N-[4-[4-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-10-yl)phenyl]phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline;N-[3-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-10-yl)phenyl]-N,9,9-triphenylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-[3-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-10-yl)phenyl]phenyl]-N-phenanthren-2-yldibenzothiophen-2-amine;N-[4-[4-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-10-yl)phenyl]phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline;N-[3-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-10-yl)phenyl]-N,9,9-triphenylfluoren-2-amine
PubChem CID162182980
Molecular FormulaC195H131N9S4
Molecular Weight2728.52 g/mol
Exact Mass2725.94
IUPAC NameN-[4-[3-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-10-yl)phenyl]phenyl]-N-phenanthren-2-yldibenzothiophen-2-amine;N-[4-[4-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-10-yl)phenyl]phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline;N-[3-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-10-yl)phenyl]-N,9,9-triphenylfluoren-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cccc6c5c5c(n6-c6ccccc6)N(c6ccccc6)c6ccccc6S5)cc4)cc3)c3ccc(-c4ccccc4-c4ccccc4)cc3)cc2)cc1.c1ccc(N(c2cccc(-c3cccc4c3c3c(n4-c4ccccc4)N(c4ccccc4)c4ccccc4S3)c2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.c1ccc(N2c3ccccc3Sc3c2n(-c2ccccc2)c2cccc(-c4cccc(-c5ccc(N(c6ccc7c(ccc8ccccc87)c6)c6ccc7sc8ccccc8c7c6)cc5)c4)c32)cc1
InChIInChI=1S/C68H47N3S.C64H41N3S2.C63H43N3S/c1-5-18-48(19-6-1)50-36-42-57(43-37-50)69(59-46-40-53(41-47-59)61-27-14-13-26-60(61)52-20-7-2-8-21-52)58-44-38-51(39-45-58)49-32-34-54(35-33-49)62-28-17-30-64-66(62)67-68(71(64)56-24-11-4-12-25-56)70(55-22-9-3-10-23-55)63-29-15-16-31-65(63)72-67;1-3-18-47(19-4-1)66-57-25-10-12-28-61(57)69-63-62-54(24-14-26-58(62)67(64(63)66)48-20-5-2-6-21-48)45-17-13-16-44(39-45)42-31-33-49(34-32-42)65(51-36-38-60-56(41-51)55-23-9-11-27-59(55)68-60)50-35-37-53-46(40-50)30-29-43-15-7-8-22-52(43)53;1-6-23-45(24-7-1)63(46-25-8-2-9-26-46)55-36-17-16-34-53(55)54-41-40-51(43-56(54)63)64(47-27-10-3-11-28-47)50-33-20-22-44(42-50)52-35-21-38-58-60(52)61-62(66(58)49-31-14-5-15-32-49)65(48-29-12-4-13-30-48)57-37-18-19-39-59(57)67-61/h1-47H;1-41H;1-43H
InChIKeyZPHCUDNBWKFEET-UHFFFAOYSA-N
XLogP55.48
TPSA34.23 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds25
Heavy Atoms208
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002728.52
LogP ≤ 555.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-[4-[3-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-10-yl)phenyl]phenyl]-N-phenanthren-2-yldibenzothiophen-2-amine;N-[4-[4-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-10-yl)phenyl]phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline;N-[3-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-10-yl)phenyl]-N,9,9-triphenylfluoren-2-amine with MolForge

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Related Compounds

N-phenanthren-2-yl-N-[4-[3-(5,6,11,11-tetraphenylindolo[2,3-b][1,4]benzazasilin-10-yl)phenyl]phenyl]dibenzothiophen-2-amine;4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-[4-(5,6,11,11-tetraphenylindolo[2,3-b][1,4]benzazasilin-10-yl)phenyl]phenyl]aniline;N,9,9-triphenyl-N-[3-(5,6,11,11-tetraphenylindolo[2,3-b][1,4]benzazasilin-10-yl)phenyl]fluoren-2-amine
CID 161156444
N-phenanthren-2-yl-N-[4-[3-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]phenyl]dibenzothiophen-2-amine;4-phenyl-N-[4-[4-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline;N,9,9-triphenyl-N-[3-[4-(21-phenyl-15-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaen-11-yl)phenyl]phenyl]fluoren-2-amine
CID 161243303
N-(9,9-diphenylfluoren-2-yl)-N-[4-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]dibenzothiophen-2-amine
CID 89426464
4-[4-(12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-N-phenylaniline;N-[4-[3-(12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[4-[4-(12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine;N,N-diphenyl-18-[4-(N-phenylanilino)phenyl]-12-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(21),2(11),3,5(10),6,8,13,15,17,19-decaen-7-amine
CID 158637517
N-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 168767225
N-(3-dibenzothiophen-2-ylphenyl)-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine
CID 155240364
N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine
CID 155240522
N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine
CID 168846173
N-[4-[3-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N-(3,5-diphenylphenyl)-9,9-dimethylfluoren-3-amine;N-[4-[3-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylphenanthren-2-amine;N-[4-[3-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[3-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine;4-[3-[9-(9,9-diphenylfluoren-3-yl)carbazol-3-yl]phenyl]-N,N-diphenylaniline;N-[4-[3-[9-(9,9-diphenylfluoren-3-yl)carbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine;N-[4-[3-[9-(9,9-diphenylfluoren-3-yl)carbazol-3-yl]phenyl]phenyl]-N,4-diphenylaniline;N,4-diphenyl-N-[4-[3-[9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]phenyl]phenyl]aniline
CID 157148125
N-(3-naphtho[2,1-b][1]benzothiol-1-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 168807272
N-[4-[4-[4-(N-dibenzothiophen-3-ylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-3-amine;N-[4-[3-[4-(N-dibenzothiophen-2-ylanilino)phenyl]phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine;N-[4-[2-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-[3-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[3-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-phenyl-N-[4-[3-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 160839602
N-phenanthren-2-yl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]dibenzothiophen-2-amine
CID 130250436

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-10-yl)phenyl]phenyl]-N-phenanthren-2-yldibenzothiophen-2-amine;N-[4-[4-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-10-yl)phenyl]phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline;N-[3-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-10-yl)phenyl]-N,9,9-triphenylfluoren-2-amine?
The IUPAC name of N-[4-[3-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-10-yl)phenyl]phenyl]-N-phenanthren-2-yldibenzothiophen-2-amine;N-[4-[4-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-10-yl)phenyl]phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline;N-[3-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-10-yl)phenyl]-N,9,9-triphenylfluoren-2-amine (CID 162182980) is N-[4-[3-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-10-yl)phenyl]phenyl]-N-phenanthren-2-yldibenzothiophen-2-amine;N-[4-[4-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-10-yl)phenyl]phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline;N-[3-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-10-yl)phenyl]-N,9,9-triphenylfluoren-2-amine.
What is the SMILES notation for N-[4-[3-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-10-yl)phenyl]phenyl]-N-phenanthren-2-yldibenzothiophen-2-amine;N-[4-[4-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-10-yl)phenyl]phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline;N-[3-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-10-yl)phenyl]-N,9,9-triphenylfluoren-2-amine?
The canonical SMILES for N-[4-[3-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-10-yl)phenyl]phenyl]-N-phenanthren-2-yldibenzothiophen-2-amine;N-[4-[4-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-10-yl)phenyl]phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline;N-[3-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-10-yl)phenyl]-N,9,9-triphenylfluoren-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cccc6c5c5c(n6-c6ccccc6)N(c6ccccc6)c6ccccc6S5)cc4)cc3)c3ccc(-c4ccccc4-c4ccccc4)cc3)cc2)cc1.c1ccc(N(c2cccc(-c3cccc4c3c3c(n4-c4ccccc4)N(c4ccccc4)c4ccccc4S3)c2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.c1ccc(N2c3ccccc3Sc3c2n(-c2ccccc2)c2cccc(-c4cccc(-c5ccc(N(c6ccc7c(ccc8ccccc87)c6)c6ccc7sc8ccccc8c7c6)cc5)c4)c32)cc1.
What is the InChIKey of N-[4-[3-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-10-yl)phenyl]phenyl]-N-phenanthren-2-yldibenzothiophen-2-amine;N-[4-[4-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-10-yl)phenyl]phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline;N-[3-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-10-yl)phenyl]-N,9,9-triphenylfluoren-2-amine?
The InChIKey is ZPHCUDNBWKFEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H47N3S.C64H41N3S2.C63H43N3S/c1-5-18-48(19-6-1)50-36-42-57(43-37-50)69(59-46-40-53(41-47-59)61-27-14-13-26-60(61)52-20-7-2-8-21-52)58-44-38-51(39-45-58)49-32-34-54(35-33-49)62-28-17-30-64-66(62)67-68(71(64)56-24-11-4-12-25-56)70(55-22-9-3-10-23-55)63-29-15-16-31-65(63)72-67;1-3-18-47(19-4-1)66-57-25-10-12-28-61(57)69-63-62-54(24-14-26-58(62)67(64(63)66)48-20-5-2-6-21-48)45-17-13-16-44(39-45)42-31-33-49(34-32-42)65(51-36-38-60-56(41-51)55-23-9-11-27-59(55)68-60)50-35-37-53-46(40-50)30-29-43-15-7-8-22-52(43)53;1-6-23-45(24-7-1)63(46-25-8-2-9-26-46)55-36-17-16-34-53(55)54-41-40-51(43-56(54)63)64(47-27-10-3-11-28-47)50-33-20-22-44(42-50)52-35-21-38-58-60(52)61-62(66(58)49-31-14-5-15-32-49)65(48-29-12-4-13-30-48)57-37-18-19-39-59(57)67-61/h1-47H;1-41H;1-43H.
What are the key properties of N-[4-[3-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-10-yl)phenyl]phenyl]-N-phenanthren-2-yldibenzothiophen-2-amine;N-[4-[4-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-10-yl)phenyl]phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline;N-[3-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-10-yl)phenyl]-N,9,9-triphenylfluoren-2-amine?
N-[4-[3-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-10-yl)phenyl]phenyl]-N-phenanthren-2-yldibenzothiophen-2-amine;N-[4-[4-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-10-yl)phenyl]phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline;N-[3-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-10-yl)phenyl]-N,9,9-triphenylfluoren-2-amine has a molecular weight of 2728.52 g/mol, XLogP of 55.48, 25 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-10-yl)phenyl]phenyl]-N-phenanthren-2-yldibenzothiophen-2-amine;N-[4-[4-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-10-yl)phenyl]phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline;N-[3-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-10-yl)phenyl]-N,9,9-triphenylfluoren-2-amine is sourced from PubChem (CID 162182980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).