2-N-dibenzothiophen-1-yl-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine;2-N,4-N-di(dibenzothiophen-3-yl)-2-N,4-N,9-triphenylcarbazole-2,4-diamine;2-N-naphtho[2,3-b][1]benzothiol-2-yl-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine;2-N-naphtho[2,3-b][1]benzothiol-3-yl-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine

C206H138N12S5 — CID 160812131

IUPAC2-N-dibenzothiophen-1-yl-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine;2-N,4-N-di(dibenzothiophen-3-yl)-2-N,4-N,9-triphenylcarbazole-2,4-diamine;2-N-naphtho[2,3-b][1]benzothiol-2-yl-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine;2-N-naphtho[2,3-b][1]benzothiol-3-yl-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine
SMILESc1ccc(N(c2cc(N(c3ccccc3)c3ccccc3)c3c4ccccc4n(-c4ccccc4)c3c2)c2cccc3sc4ccccc4c23)cc1.c1ccc(N(c2ccc3c(c2)sc2cc4ccccc4cc23)c2cc(N(c3ccccc3)c3ccccc3)c3c4ccccc4n(-c4ccccc4)c3c2)cc1.c1ccc(N(c2ccc3c(c2)sc2ccccc23)c2cc(N(c3ccccc3)c3ccc4c(c3)sc3ccccc34)c3c4ccccc4n(-c4ccccc4)c3c2)cc1.c1ccc(N(c2ccc3sc4cc5ccccc5cc4c3c2)c2cc(N(c3ccccc3)c3ccccc3)c3c4ccccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C54H35N3S2.2C52H35N3S.C48H33N3S/c1-4-16-36(17-5-1)55(39-28-30-44-42-22-11-14-26-50(42)58-52(44)34-39)41-32-48(54-46-24-10-13-25-47(46)57(49(54)33-41)38-20-8-3-9-21-38)56(37-18-6-2-7-19-37)40-29-31-45-43-23-12-15-27-51(43)59-53(45)35-40;1-5-19-38(20-6-1)53(42-29-30-44-46-31-36-17-13-14-18-37(36)32-50(46)56-51(44)35-42)43-33-48(54(39-21-7-2-8-22-39)40-23-9-3-10-24-40)52-45-27-15-16-28-47(45)55(49(52)34-43)41-25-11-4-12-26-41;1-5-19-38(20-6-1)53(42-29-30-50-46(33-42)45-31-36-17-13-14-18-37(36)32-51(45)56-50)43-34-48(54(39-21-7-2-8-22-39)40-23-9-3-10-24-40)52-44-27-15-16-28-47(44)55(49(52)35-43)41-25-11-4-12-26-41;1-5-18-34(19-6-1)49(35-20-7-2-8-21-35)43-32-38(33-44-47(43)39-26-13-15-28-41(39)51(44)37-24-11-4-12-25-37)50(36-22-9-3-10-23-36)42-29-17-31-46-48(42)40-27-14-16-30-45(40)52-46/h1-35H;2*1-35H;1-33H
InChIKeySEKWNBDJZGQMQB-UHFFFAOYSA-N
MW2941.79 g/mol
LogP61.04
Rot. Bonds28

About 2-N-dibenzothiophen-1-yl-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine;2-N,4-N-di(dibenzothiophen-3-yl)-2-N,4-N,9-triphenylcarbazole-2,4-diamine;2-N-naphtho[2,3-b][1]benzothiol-2-yl-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine;2-N-naphtho[2,3-b][1]benzothiol-3-yl-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine

2-N-dibenzothiophen-1-yl-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine;2-N,4-N-di(dibenzothiophen-3-yl)-2-N,4-N,9-triphenylcarbazole-2,4-diamine;2-N-naphtho[2,3-b][1]benzothiol-2-yl-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine;2-N-naphtho[2,3-b][1]benzothiol-3-yl-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine (PubChem CID 160812131) has the molecular formula C206H138N12S5 and a molecular weight of 2941.79 g/mol. Its IUPAC name is 2-N-dibenzothiophen-1-yl-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine;2-N,4-N-di(dibenzothiophen-3-yl)-2-N,4-N,9-triphenylcarbazole-2,4-diamine;2-N-naphtho[2,3-b][1]benzothiol-2-yl-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine;2-N-naphtho[2,3-b][1]benzothiol-3-yl-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine.

Molecular Properties

Compound Name2-N-dibenzothiophen-1-yl-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine;2-N,4-N-di(dibenzothiophen-3-yl)-2-N,4-N,9-triphenylcarbazole-2,4-diamine;2-N-naphtho[2,3-b][1]benzothiol-2-yl-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine;2-N-naphtho[2,3-b][1]benzothiol-3-yl-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine
PubChem CID160812131
Molecular FormulaC206H138N12S5
Molecular Weight2941.79 g/mol
Exact Mass2938.98
IUPAC Name2-N-dibenzothiophen-1-yl-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine;2-N,4-N-di(dibenzothiophen-3-yl)-2-N,4-N,9-triphenylcarbazole-2,4-diamine;2-N-naphtho[2,3-b][1]benzothiol-2-yl-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine;2-N-naphtho[2,3-b][1]benzothiol-3-yl-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine
SMILESc1ccc(N(c2cc(N(c3ccccc3)c3ccccc3)c3c4ccccc4n(-c4ccccc4)c3c2)c2cccc3sc4ccccc4c23)cc1.c1ccc(N(c2ccc3c(c2)sc2cc4ccccc4cc23)c2cc(N(c3ccccc3)c3ccccc3)c3c4ccccc4n(-c4ccccc4)c3c2)cc1.c1ccc(N(c2ccc3c(c2)sc2ccccc23)c2cc(N(c3ccccc3)c3ccc4c(c3)sc3ccccc34)c3c4ccccc4n(-c4ccccc4)c3c2)cc1.c1ccc(N(c2ccc3sc4cc5ccccc5cc4c3c2)c2cc(N(c3ccccc3)c3ccccc3)c3c4ccccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C54H35N3S2.2C52H35N3S.C48H33N3S/c1-4-16-36(17-5-1)55(39-28-30-44-42-22-11-14-26-50(42)58-52(44)34-39)41-32-48(54-46-24-10-13-25-47(46)57(49(54)33-41)38-20-8-3-9-21-38)56(37-18-6-2-7-19-37)40-29-31-45-43-23-12-15-27-51(43)59-53(45)35-40;1-5-19-38(20-6-1)53(42-29-30-44-46-31-36-17-13-14-18-37(36)32-50(46)56-51(44)35-42)43-33-48(54(39-21-7-2-8-22-39)40-23-9-3-10-24-40)52-45-27-15-16-28-47(45)55(49(52)34-43)41-25-11-4-12-26-41;1-5-19-38(20-6-1)53(42-29-30-50-46(33-42)45-31-36-17-13-14-18-37(36)32-51(45)56-50)43-34-48(54(39-21-7-2-8-22-39)40-23-9-3-10-24-40)52-44-27-15-16-28-47(44)55(49(52)35-43)41-25-11-4-12-26-41;1-5-18-34(19-6-1)49(35-20-7-2-8-21-35)43-32-38(33-44-47(43)39-26-13-15-28-41(39)51(44)37-24-11-4-12-25-37)50(36-22-9-3-10-23-36)42-29-17-31-46-48(42)40-27-14-16-30-45(40)52-46/h1-35H;2*1-35H;1-33H
InChIKeySEKWNBDJZGQMQB-UHFFFAOYSA-N
XLogP61.04
TPSA45.64 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds28
Heavy Atoms223
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002941.79
LogP ≤ 561.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 2-N-dibenzothiophen-1-yl-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine;2-N,4-N-di(dibenzothiophen-3-yl)-2-N,4-N,9-triphenylcarbazole-2,4-diamine;2-N-naphtho[2,3-b][1]benzothiol-2-yl-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine;2-N-naphtho[2,3-b][1]benzothiol-3-yl-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine with MolForge

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Related Compounds

2-N-dibenzothiophen-1-yl-9-naphthalen-2-yl-2-N,4-N,4-N-triphenylcarbazole-2,4-diamine;2-N-dibenzothiophen-2-yl-9-naphthalen-2-yl-2-N,4-N,4-N-triphenylcarbazole-2,4-diamine;2-N-dibenzothiophen-3-yl-9-naphthalen-2-yl-2-N,4-N,4-N-triphenylcarbazole-2,4-diamine
CID 159922399
2-N,2-N-di(dibenzothiophen-3-yl)-9-naphthalen-2-yl-4-N,4-N-diphenylcarbazole-2,4-diamine
CID 154965730
N-dibenzothiophen-1-yl-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-2-amine
CID 163581433
N-dibenzothiophen-1-yl-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine
CID 170286393
4-N-naphtho[2,1-b][1]benzothiol-11-yl-1-N,4-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,4-diamine
CID 165032934
N-dibenzothiophen-3-yl-N-naphtho[2,3-b][1]benzothiol-1-yl-11-phenylbenzo[a]carbazol-8-amine
CID 166997186
6-N-[7-(N-naphthalen-1-ylanilino)dibenzothiophen-2-yl]-2-N,2-N,9-triphenyl-6-N-(4-phenylphenyl)carbazole-2,6-diamine
CID 129194367
N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine;N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-2-amine;N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-3-amine
CID 165000250
1-N-dibenzothiophen-2-yl-5-phenanthren-9-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;5-phenanthren-9-yl-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)-3-N-(9-phenylcarbazol-4-yl)benzene-1,3-diamine;5-phenanthren-9-yl-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)-3-N-(2-phenylphenyl)benzene-1,3-diamine
CID 163748630
N-dibenzothiophen-3-yl-N-naphtho[2,3-b][1]benzothiol-1-yl-11-phenylbenzo[a]carbazol-9-amine
CID 165018237
2-N-dibenzothiophen-1-yl-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;2-N-dibenzothiophen-3-yl-2-N-naphthalen-1-yl-7-N,7-N-diphenyldibenzothiophene-2,7-diamine
CID 159090908
N-dibenzothiophen-2-yl-N,5,6-triphenylindolo[2,3-b]indol-1-amine
CID 146367309

Frequently Asked Questions

What is the IUPAC name of 2-N-dibenzothiophen-1-yl-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine;2-N,4-N-di(dibenzothiophen-3-yl)-2-N,4-N,9-triphenylcarbazole-2,4-diamine;2-N-naphtho[2,3-b][1]benzothiol-2-yl-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine;2-N-naphtho[2,3-b][1]benzothiol-3-yl-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine?
The IUPAC name of 2-N-dibenzothiophen-1-yl-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine;2-N,4-N-di(dibenzothiophen-3-yl)-2-N,4-N,9-triphenylcarbazole-2,4-diamine;2-N-naphtho[2,3-b][1]benzothiol-2-yl-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine;2-N-naphtho[2,3-b][1]benzothiol-3-yl-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine (CID 160812131) is 2-N-dibenzothiophen-1-yl-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine;2-N,4-N-di(dibenzothiophen-3-yl)-2-N,4-N,9-triphenylcarbazole-2,4-diamine;2-N-naphtho[2,3-b][1]benzothiol-2-yl-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine;2-N-naphtho[2,3-b][1]benzothiol-3-yl-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine.
What is the SMILES notation for 2-N-dibenzothiophen-1-yl-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine;2-N,4-N-di(dibenzothiophen-3-yl)-2-N,4-N,9-triphenylcarbazole-2,4-diamine;2-N-naphtho[2,3-b][1]benzothiol-2-yl-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine;2-N-naphtho[2,3-b][1]benzothiol-3-yl-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine?
The canonical SMILES for 2-N-dibenzothiophen-1-yl-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine;2-N,4-N-di(dibenzothiophen-3-yl)-2-N,4-N,9-triphenylcarbazole-2,4-diamine;2-N-naphtho[2,3-b][1]benzothiol-2-yl-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine;2-N-naphtho[2,3-b][1]benzothiol-3-yl-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine is c1ccc(N(c2cc(N(c3ccccc3)c3ccccc3)c3c4ccccc4n(-c4ccccc4)c3c2)c2cccc3sc4ccccc4c23)cc1.c1ccc(N(c2ccc3c(c2)sc2cc4ccccc4cc23)c2cc(N(c3ccccc3)c3ccccc3)c3c4ccccc4n(-c4ccccc4)c3c2)cc1.c1ccc(N(c2ccc3c(c2)sc2ccccc23)c2cc(N(c3ccccc3)c3ccc4c(c3)sc3ccccc34)c3c4ccccc4n(-c4ccccc4)c3c2)cc1.c1ccc(N(c2ccc3sc4cc5ccccc5cc4c3c2)c2cc(N(c3ccccc3)c3ccccc3)c3c4ccccc4n(-c4ccccc4)c3c2)cc1.
What is the InChIKey of 2-N-dibenzothiophen-1-yl-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine;2-N,4-N-di(dibenzothiophen-3-yl)-2-N,4-N,9-triphenylcarbazole-2,4-diamine;2-N-naphtho[2,3-b][1]benzothiol-2-yl-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine;2-N-naphtho[2,3-b][1]benzothiol-3-yl-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine?
The InChIKey is SEKWNBDJZGQMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3S2.2C52H35N3S.C48H33N3S/c1-4-16-36(17-5-1)55(39-28-30-44-42-22-11-14-26-50(42)58-52(44)34-39)41-32-48(54-46-24-10-13-25-47(46)57(49(54)33-41)38-20-8-3-9-21-38)56(37-18-6-2-7-19-37)40-29-31-45-43-23-12-15-27-51(43)59-53(45)35-40;1-5-19-38(20-6-1)53(42-29-30-44-46-31-36-17-13-14-18-37(36)32-50(46)56-51(44)35-42)43-33-48(54(39-21-7-2-8-22-39)40-23-9-3-10-24-40)52-45-27-15-16-28-47(45)55(49(52)34-43)41-25-11-4-12-26-41;1-5-19-38(20-6-1)53(42-29-30-50-46(33-42)45-31-36-17-13-14-18-37(36)32-51(45)56-50)43-34-48(54(39-21-7-2-8-22-39)40-23-9-3-10-24-40)52-44-27-15-16-28-47(44)55(49(52)35-43)41-25-11-4-12-26-41;1-5-18-34(19-6-1)49(35-20-7-2-8-21-35)43-32-38(33-44-47(43)39-26-13-15-28-41(39)51(44)37-24-11-4-12-25-37)50(36-22-9-3-10-23-36)42-29-17-31-46-48(42)40-27-14-16-30-45(40)52-46/h1-35H;2*1-35H;1-33H.
What are the key properties of 2-N-dibenzothiophen-1-yl-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine;2-N,4-N-di(dibenzothiophen-3-yl)-2-N,4-N,9-triphenylcarbazole-2,4-diamine;2-N-naphtho[2,3-b][1]benzothiol-2-yl-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine;2-N-naphtho[2,3-b][1]benzothiol-3-yl-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine?
2-N-dibenzothiophen-1-yl-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine;2-N,4-N-di(dibenzothiophen-3-yl)-2-N,4-N,9-triphenylcarbazole-2,4-diamine;2-N-naphtho[2,3-b][1]benzothiol-2-yl-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine;2-N-naphtho[2,3-b][1]benzothiol-3-yl-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine has a molecular weight of 2941.79 g/mol, XLogP of 61.04, 28 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-dibenzothiophen-1-yl-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine;2-N,4-N-di(dibenzothiophen-3-yl)-2-N,4-N,9-triphenylcarbazole-2,4-diamine;2-N-naphtho[2,3-b][1]benzothiol-2-yl-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine;2-N-naphtho[2,3-b][1]benzothiol-3-yl-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine is sourced from PubChem (CID 160812131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).