N-phenyl-5-[3-(N-phenylanilino)phenyl]-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazol-2-amine;N,N,11-triphenyl-5-[4-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-c]carbazol-2-amine

C114H78N6S2 — CID 157380480

IUPACN-phenyl-5-[3-(N-phenylanilino)phenyl]-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazol-2-amine;N,N,11-triphenyl-5-[4-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-c]carbazol-2-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)c4c6sc7ccccc7c6ccc4n5-c4cccc(N(c5ccccc5)c5ccccc5)c4)cc3)cc2)cc1.c1ccc(-c2cccc3c2sc2c3ccc3c2c2cc(N(c4ccccc4)c4ccccc4)ccc2n3-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C60H41N3S.C54H37N3S/c1-5-16-42(17-6-1)43-28-30-44(31-29-43)45-32-34-49(35-33-45)62(48-22-11-4-12-23-48)52-36-38-56-55(41-52)59-57(39-37-54-53-26-13-14-27-58(53)64-60(54)59)63(56)51-25-15-24-50(40-51)61(46-18-7-2-8-19-46)47-20-9-3-10-21-47;1-6-17-38(18-7-1)46-27-16-28-47-48-34-36-51-52(54(48)58-53(46)47)49-37-45(56(41-23-12-4-13-24-41)42-25-14-5-15-26-42)33-35-50(49)57(51)44-31-29-43(30-32-44)55(39-19-8-2-9-20-39)40-21-10-3-11-22-40/h1-41H;1-37H
InChIKeyBKVBONMXLLBYSH-UHFFFAOYSA-N
MW1596.05 g/mol
LogP33.18
Rot. Bonds17

About N-phenyl-5-[3-(N-phenylanilino)phenyl]-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazol-2-amine;N,N,11-triphenyl-5-[4-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-c]carbazol-2-amine

N-phenyl-5-[3-(N-phenylanilino)phenyl]-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazol-2-amine;N,N,11-triphenyl-5-[4-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-c]carbazol-2-amine (PubChem CID 157380480) has the molecular formula C114H78N6S2 and a molecular weight of 1596.05 g/mol. Its IUPAC name is N-phenyl-5-[3-(N-phenylanilino)phenyl]-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazol-2-amine;N,N,11-triphenyl-5-[4-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-c]carbazol-2-amine.

Molecular Properties

Compound NameN-phenyl-5-[3-(N-phenylanilino)phenyl]-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazol-2-amine;N,N,11-triphenyl-5-[4-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-c]carbazol-2-amine
PubChem CID157380480
Molecular FormulaC114H78N6S2
Molecular Weight1596.05 g/mol
Exact Mass1594.57
IUPAC NameN-phenyl-5-[3-(N-phenylanilino)phenyl]-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazol-2-amine;N,N,11-triphenyl-5-[4-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-c]carbazol-2-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)c4c6sc7ccccc7c6ccc4n5-c4cccc(N(c5ccccc5)c5ccccc5)c4)cc3)cc2)cc1.c1ccc(-c2cccc3c2sc2c3ccc3c2c2cc(N(c4ccccc4)c4ccccc4)ccc2n3-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C60H41N3S.C54H37N3S/c1-5-16-42(17-6-1)43-28-30-44(31-29-43)45-32-34-49(35-33-45)62(48-22-11-4-12-23-48)52-36-38-56-55(41-52)59-57(39-37-54-53-26-13-14-27-58(53)64-60(54)59)63(56)51-25-15-24-50(40-51)61(46-18-7-2-8-19-46)47-20-9-3-10-21-47;1-6-17-38(18-7-1)46-27-16-28-47-48-34-36-51-52(54(48)58-53(46)47)49-37-45(56(41-23-12-4-13-24-41)42-25-14-5-15-26-42)33-35-50(49)57(51)44-31-29-43(30-32-44)55(39-19-8-2-9-20-39)40-21-10-3-11-22-40/h1-41H;1-37H
InChIKeyBKVBONMXLLBYSH-UHFFFAOYSA-N
XLogP33.18
TPSA22.82 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms122
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001596.05
LogP ≤ 533.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-phenyl-5-[3-(N-phenylanilino)phenyl]-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazol-2-amine;N,N,11-triphenyl-5-[4-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-c]carbazol-2-amine with MolForge

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Related Compounds

N-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;5-([1]benzothiolo[3,2-c]carbazol-5-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;4-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline;N,N-diphenyl-5-[4-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-c]carbazol-2-amine
CID 158348435
4-[9-(4-dibenzothiophen-4-ylphenyl)-6-phenylcarbazol-3-yl]-N,N-diphenylaniline
CID 90131943
10-N,10-N,20-N,20-N-tetraphenyl-6,24-bis(4-phenylphenyl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene-10,20-diamine
CID 88856281
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-3-amine
CID 160850251
5-(4-dibenzothiophen-4-ylphenyl)-11-phenyl-[1]benzothiolo[3,2-c]carbazole;2-phenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 158127290
N-[4-(4-bromophenyl)phenyl]-N,5-diphenyl-[1]benzothiolo[3,2-c]carbazol-2-amine
CID 126702316
N-(4-carbazol-9-ylphenyl)-4-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 177079934
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 170666353
N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]aniline
CID 66585174
N-(4-carbazol-9-ylphenyl)-4-dibenzothiophen-4-yl-N-[4-(3,5-diphenylphenyl)phenyl]aniline
CID 70808732
4-[6-(4-carbazol-9-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 89492129
N,5-diphenyl-N-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazol-2-amine
CID 89448189

Frequently Asked Questions

What is the IUPAC name of N-phenyl-5-[3-(N-phenylanilino)phenyl]-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazol-2-amine;N,N,11-triphenyl-5-[4-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-c]carbazol-2-amine?
The IUPAC name of N-phenyl-5-[3-(N-phenylanilino)phenyl]-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazol-2-amine;N,N,11-triphenyl-5-[4-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-c]carbazol-2-amine (CID 157380480) is N-phenyl-5-[3-(N-phenylanilino)phenyl]-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazol-2-amine;N,N,11-triphenyl-5-[4-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-c]carbazol-2-amine.
What is the SMILES notation for N-phenyl-5-[3-(N-phenylanilino)phenyl]-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazol-2-amine;N,N,11-triphenyl-5-[4-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-c]carbazol-2-amine?
The canonical SMILES for N-phenyl-5-[3-(N-phenylanilino)phenyl]-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazol-2-amine;N,N,11-triphenyl-5-[4-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-c]carbazol-2-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)c4c6sc7ccccc7c6ccc4n5-c4cccc(N(c5ccccc5)c5ccccc5)c4)cc3)cc2)cc1.c1ccc(-c2cccc3c2sc2c3ccc3c2c2cc(N(c4ccccc4)c4ccccc4)ccc2n3-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of N-phenyl-5-[3-(N-phenylanilino)phenyl]-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazol-2-amine;N,N,11-triphenyl-5-[4-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-c]carbazol-2-amine?
The InChIKey is BKVBONMXLLBYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N3S.C54H37N3S/c1-5-16-42(17-6-1)43-28-30-44(31-29-43)45-32-34-49(35-33-45)62(48-22-11-4-12-23-48)52-36-38-56-55(41-52)59-57(39-37-54-53-26-13-14-27-58(53)64-60(54)59)63(56)51-25-15-24-50(40-51)61(46-18-7-2-8-19-46)47-20-9-3-10-21-47;1-6-17-38(18-7-1)46-27-16-28-47-48-34-36-51-52(54(48)58-53(46)47)49-37-45(56(41-23-12-4-13-24-41)42-25-14-5-15-26-42)33-35-50(49)57(51)44-31-29-43(30-32-44)55(39-19-8-2-9-20-39)40-21-10-3-11-22-40/h1-41H;1-37H.
What are the key properties of N-phenyl-5-[3-(N-phenylanilino)phenyl]-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazol-2-amine;N,N,11-triphenyl-5-[4-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-c]carbazol-2-amine?
N-phenyl-5-[3-(N-phenylanilino)phenyl]-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazol-2-amine;N,N,11-triphenyl-5-[4-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-c]carbazol-2-amine has a molecular weight of 1596.05 g/mol, XLogP of 33.18, 17 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-5-[3-(N-phenylanilino)phenyl]-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazol-2-amine;N,N,11-triphenyl-5-[4-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-c]carbazol-2-amine is sourced from PubChem (CID 157380480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).