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

C156H105N9S3 — CID 159922399

IUPAC2-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
SMILESc1ccc(N(c2cc(N(c3ccccc3)c3ccccc3)c3c4ccccc4n(-c4ccc5ccccc5c4)c3c2)c2cccc3sc4ccccc4c23)cc1.c1ccc(N(c2ccc3c(c2)sc2ccccc23)c2cc(N(c3ccccc3)c3ccccc3)c3c4ccccc4n(-c4ccc5ccccc5c4)c3c2)cc1.c1ccc(N(c2ccc3sc4ccccc4c3c2)c2cc(N(c3ccccc3)c3ccccc3)c3c4ccccc4n(-c4ccc5ccccc5c4)c3c2)cc1
InChIInChI=1S/3C52H35N3S/c1-4-19-38(20-5-1)53(39-21-6-2-7-22-39)47-34-42(54(40-23-8-3-9-24-40)46-28-16-30-50-52(46)44-26-13-15-29-49(44)56-50)35-48-51(47)43-25-12-14-27-45(43)55(48)41-32-31-36-17-10-11-18-37(36)33-41;1-4-18-38(19-5-1)53(42-30-31-45-44-24-13-15-27-50(44)56-51(45)35-42)43-33-48(54(39-20-6-2-7-21-39)40-22-8-3-9-23-40)52-46-25-12-14-26-47(46)55(49(52)34-43)41-29-28-36-16-10-11-17-37(36)32-41;1-4-18-38(19-5-1)53(42-30-31-51-46(33-42)44-24-13-15-27-50(44)56-51)43-34-48(54(39-20-6-2-7-21-39)40-22-8-3-9-23-40)52-45-25-12-14-26-47(45)55(49(52)35-43)41-29-28-36-16-10-11-17-37(36)32-41/h3*1-35H
InChIKeyNYONCAGVDAJRNB-UHFFFAOYSA-N
MW2201.82 g/mol
LogP45.73
Rot. Bonds21

About 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

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 (PubChem CID 159922399) has the molecular formula C156H105N9S3 and a molecular weight of 2201.82 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID159922399
Molecular FormulaC156H105N9S3
Molecular Weight2201.82 g/mol
Exact Mass2199.77
IUPAC Name2-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
SMILESc1ccc(N(c2cc(N(c3ccccc3)c3ccccc3)c3c4ccccc4n(-c4ccc5ccccc5c4)c3c2)c2cccc3sc4ccccc4c23)cc1.c1ccc(N(c2ccc3c(c2)sc2ccccc23)c2cc(N(c3ccccc3)c3ccccc3)c3c4ccccc4n(-c4ccc5ccccc5c4)c3c2)cc1.c1ccc(N(c2ccc3sc4ccccc4c3c2)c2cc(N(c3ccccc3)c3ccccc3)c3c4ccccc4n(-c4ccc5ccccc5c4)c3c2)cc1
InChIInChI=1S/3C52H35N3S/c1-4-19-38(20-5-1)53(39-21-6-2-7-22-39)47-34-42(54(40-23-8-3-9-24-40)46-28-16-30-50-52(46)44-26-13-15-29-49(44)56-50)35-48-51(47)43-25-12-14-27-45(43)55(48)41-32-31-36-17-10-11-18-37(36)33-41;1-4-18-38(19-5-1)53(42-30-31-45-44-24-13-15-27-50(44)56-51(45)35-42)43-33-48(54(39-20-6-2-7-21-39)40-22-8-3-9-23-40)52-46-25-12-14-26-47(46)55(49(52)34-43)41-29-28-36-16-10-11-17-37(36)32-41;1-4-18-38(19-5-1)53(42-30-31-51-46(33-42)44-24-13-15-27-50(44)56-51)43-34-48(54(39-20-6-2-7-21-39)40-22-8-3-9-23-40)52-45-25-12-14-26-47(45)55(49(52)35-43)41-29-28-36-16-10-11-17-37(36)32-41/h3*1-35H
InChIKeyNYONCAGVDAJRNB-UHFFFAOYSA-N
XLogP45.73
TPSA34.23 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds21
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002201.82
LogP ≤ 545.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 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 with MolForge

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Related Compounds

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
2-N,2-N-di(dibenzothiophen-3-yl)-9-naphthalen-2-yl-4-N,4-N-diphenylcarbazole-2,4-diamine
CID 154965730
9-naphthalen-2-yl-2-N,4-N,4-N-triphenyl-2-N-(9-phenylcarbazol-3-yl)carbazole-2,4-diamine
CID 154965674
N-dibenzothiophen-2-yl-N-naphthalen-1-yl-5-naphthalen-2-ylbenzo[b]carbazol-3-amine
CID 163689901
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
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
1-N-naphtho[1,2-b][1]benzothiol-8-yl-1-N,3-N-diphenyl-3-N-[8-(N-phenylanilino)dibenzothiophen-3-yl]dibenzothiophene-1,3-diamine
CID 146550645
7-N-dibenzothiophen-3-yl-2-N,2-N-dinaphthalen-2-yl-7-N-phenyldibenzothiophene-2,7-diamine
CID 134553264
N-dibenzothiophen-2-yl-21-naphthalen-2-yl-N,2,15-triphenyl-2,15,21-triazapentacyclo[14.3.1.17,10.03,8.09,14]henicosa-1(20),3,5,7,9,11,13,16,18-nonaen-18-amine
CID 139380043
N-(4-carbazol-9-ylphenyl)-9-dibenzothiophen-2-yl-N-phenylcarbazol-2-amine
CID 118333318
N-dibenzothiophen-1-yl-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine
CID 170286393
8-carbazol-9-yl-N,N-dinaphthalen-1-yldibenzothiophen-3-amine
CID 90372254

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(N(c2cc(N(c3ccccc3)c3ccccc3)c3c4ccccc4n(-c4ccc5ccccc5c4)c3c2)c2cccc3sc4ccccc4c23)cc1.c1ccc(N(c2ccc3c(c2)sc2ccccc23)c2cc(N(c3ccccc3)c3ccccc3)c3c4ccccc4n(-c4ccc5ccccc5c4)c3c2)cc1.c1ccc(N(c2ccc3sc4ccccc4c3c2)c2cc(N(c3ccccc3)c3ccccc3)c3c4ccccc4n(-c4ccc5ccccc5c4)c3c2)cc1.
What is the InChIKey of 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?
The InChIKey is NYONCAGVDAJRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C52H35N3S/c1-4-19-38(20-5-1)53(39-21-6-2-7-22-39)47-34-42(54(40-23-8-3-9-24-40)46-28-16-30-50-52(46)44-26-13-15-29-49(44)56-50)35-48-51(47)43-25-12-14-27-45(43)55(48)41-32-31-36-17-10-11-18-37(36)33-41;1-4-18-38(19-5-1)53(42-30-31-45-44-24-13-15-27-50(44)56-51(45)35-42)43-33-48(54(39-20-6-2-7-21-39)40-22-8-3-9-23-40)52-46-25-12-14-26-47(46)55(49(52)34-43)41-29-28-36-16-10-11-17-37(36)32-41;1-4-18-38(19-5-1)53(42-30-31-51-46(33-42)44-24-13-15-27-50(44)56-51)43-34-48(54(39-20-6-2-7-21-39)40-22-8-3-9-23-40)52-45-25-12-14-26-47(45)55(49(52)35-43)41-29-28-36-16-10-11-17-37(36)32-41/h3*1-35H.
What are the key properties of 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?
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 has a molecular weight of 2201.82 g/mol, XLogP of 45.73, 21 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159922399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).