8-[9-(5-methylthiophen-2-yl)-6-[3-[9-(5-methylthiophen-2-yl)-6-(5-phenylpyrido[4,3-b]indol-8-yl)carbazol-3-yl]pyrazin-2-yl]carbazol-3-yl]-5-phenylpyrido[4,3-b]indole

C72H46N8S2 — CID 143802438

IUPAC8-[9-(5-methylthiophen-2-yl)-6-[3-[9-(5-methylthiophen-2-yl)-6-(5-phenylpyrido[4,3-b]indol-8-yl)carbazol-3-yl]pyrazin-2-yl]carbazol-3-yl]-5-phenylpyrido[4,3-b]indole
SMILESCc1ccc(-n2c3ccc(-c4ccc5c(c4)c4cnccc4n5-c4ccccc4)cc3c3cc(-c4nccnc4-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6cnccc6n7-c6ccccc6)ccc4n5-c4ccc(C)s4)ccc32)s1
InChIInChI=1S/C72H46N8S2/c1-43-13-27-69(81-43)79-63-23-17-45(47-15-21-61-57(37-47)59-41-73-31-29-67(59)77(61)51-9-5-3-6-10-51)35-53(63)55-39-49(19-25-65(55)79)71-72(76-34-33-75-71)50-20-26-66-56(40-50)54-36-46(18-24-64(54)80(66)70-28-14-44(2)82-70)48-16-22-62-58(38-48)60-42-74-32-30-68(60)78(62)52-11-7-4-8-12-52/h3-42H,1-2H3
InChIKeyOPVOEMGIPKICRJ-UHFFFAOYSA-N
MW1087.35 g/mol
LogP19.06
Rot. Bonds8

About 8-[9-(5-methylthiophen-2-yl)-6-[3-[9-(5-methylthiophen-2-yl)-6-(5-phenylpyrido[4,3-b]indol-8-yl)carbazol-3-yl]pyrazin-2-yl]carbazol-3-yl]-5-phenylpyrido[4,3-b]indole

8-[9-(5-methylthiophen-2-yl)-6-[3-[9-(5-methylthiophen-2-yl)-6-(5-phenylpyrido[4,3-b]indol-8-yl)carbazol-3-yl]pyrazin-2-yl]carbazol-3-yl]-5-phenylpyrido[4,3-b]indole (PubChem CID 143802438) has the molecular formula C72H46N8S2 and a molecular weight of 1087.35 g/mol. Its IUPAC name is 8-[9-(5-methylthiophen-2-yl)-6-[3-[9-(5-methylthiophen-2-yl)-6-(5-phenylpyrido[4,3-b]indol-8-yl)carbazol-3-yl]pyrazin-2-yl]carbazol-3-yl]-5-phenylpyrido[4,3-b]indole.

Molecular Properties

Compound Name8-[9-(5-methylthiophen-2-yl)-6-[3-[9-(5-methylthiophen-2-yl)-6-(5-phenylpyrido[4,3-b]indol-8-yl)carbazol-3-yl]pyrazin-2-yl]carbazol-3-yl]-5-phenylpyrido[4,3-b]indole
PubChem CID143802438
Molecular FormulaC72H46N8S2
Molecular Weight1087.35 g/mol
Exact Mass1086.33
IUPAC Name8-[9-(5-methylthiophen-2-yl)-6-[3-[9-(5-methylthiophen-2-yl)-6-(5-phenylpyrido[4,3-b]indol-8-yl)carbazol-3-yl]pyrazin-2-yl]carbazol-3-yl]-5-phenylpyrido[4,3-b]indole
SMILESCc1ccc(-n2c3ccc(-c4ccc5c(c4)c4cnccc4n5-c4ccccc4)cc3c3cc(-c4nccnc4-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6cnccc6n7-c6ccccc6)ccc4n5-c4ccc(C)s4)ccc32)s1
InChIInChI=1S/C72H46N8S2/c1-43-13-27-69(81-43)79-63-23-17-45(47-15-21-61-57(37-47)59-41-73-31-29-67(59)77(61)51-9-5-3-6-10-51)35-53(63)55-39-49(19-25-65(55)79)71-72(76-34-33-75-71)50-20-26-66-56(40-50)54-36-46(18-24-64(54)80(66)70-28-14-44(2)82-70)48-16-22-62-58(38-48)60-42-74-32-30-68(60)78(62)52-11-7-4-8-12-52/h3-42H,1-2H3
InChIKeyOPVOEMGIPKICRJ-UHFFFAOYSA-N
XLogP19.06
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001087.35
LogP ≤ 519.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 8-[9-(5-methylthiophen-2-yl)-6-[3-[9-(5-methylthiophen-2-yl)-6-(5-phenylpyrido[4,3-b]indol-8-yl)carbazol-3-yl]pyrazin-2-yl]carbazol-3-yl]-5-phenylpyrido[4,3-b]indole with MolForge

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Related Compounds

1-Thiophen-3-yl-9-[6-(1-thiophen-3-ylpyrido[3,4-b]indol-9-yl)hexyl]pyrido[3,4-b]indole
CID 71539239
1-Thiophen-3-yl-9-[8-(1-thiophen-3-ylpyrido[3,4-b]indol-9-yl)octyl]pyrido[3,4-b]indole
CID 71539331
N-[4-[9-(5-fluoro-3-pyridinyl)carbazol-3-yl]phenyl]-N-[4-(4-pyridin-2-ylphenyl)phenyl]dibenzothiophen-3-amine
CID 90195060
5-[2-[3-([1]Benzothiolo[3,2-c]carbazol-5-yl)pyridin-2-yl]-3-(trifluoromethyl)phenyl]-10-[12-phenyl-5-[2-[2-(12-phenylindolo[3,2-c]carbazol-5-yl)-6-(trifluoromethyl)phenyl]pyridin-3-yl]indolo[3,2-c]carbazol-10-yl]-[1]benzothiolo[3,2-c]carbazole
CID 156282580
5-[2-[4-([1]Benzothiolo[3,2-c]carbazol-5-yl)pyridin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 156282753
12-[2-([1]Benzothiolo[2,3-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-5-methylphenyl]-[1]benzothiolo[2,3-a]carbazole;9-[2-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(2,6-difluorophenyl)-5-methylphenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole;12-[4-(2,6-difluorophenyl)-2-(11-phenylindolo[2,3-a]carbazol-12-yl)-5-(trifluoromethyl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-[4-(2,6-difluorophenyl)-2-(5-phenylindolo[3,2-c]carbazol-12-yl)-5-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 157676979
7-carbazol-9-yl-5-phenyl-9H-pyrido[3,2-b]indol-9-ide;tetrakis(iridium);7-methyl-5-phenyl-9H-pyrido[3,2-b]indol-9-ide;6-methyl-5-phenyl-8-(trifluoromethyl)-9H-pyrido[3,2-b]indol-9-ide;N,N,5-triphenyl-9H-pyrido[3,2-b]indol-9-id-7-amine
CID 157902800
6-(2,7-Dimethylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;6-(2-methylindazol-5-yl)-2-(2-methylpiperidin-4-yl)-1,3-benzothiazole;6-[2-methyl-7-(trifluoromethyl)indazol-5-yl]-2-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridine
CID 160055007
20-dibenzothiophen-4-yl-15-methyl-10-thia-18-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;18-methyl-20-(9-phenylcarbazol-2-yl)-10-thia-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;N-phenyl-N-[4-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-20-yl)phenyl]naphthalen-2-amine;20-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-10-thia-15,18-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 160216356
12-[3-([1]Benzothiolo[2,3-a]carbazol-12-yl)-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;9-[3-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole;12-[5-(2,6-difluorophenyl)-3-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-[5-(2,6-difluorophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 160515686
N-[4-[1-tert-butyl-5-[2-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]pyrrol-2-yl]-3-fluorophenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[5-[1-tert-butyl-5-[5-(4-phenyl-N-pyridin-4-ylanilino)thiophen-2-yl]pyrrol-2-yl]thiophen-2-yl]-N-(4-phenylphenyl)pyridin-4-amine;N-[3-fluoro-4-[5-[2-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]-1-methylpyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[3-fluoro-4-[5-[2-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]-1-phenylpyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[3-methyl-4-[1-methyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-(4-phenylphenyl)-N-[5-[1-phenyl-5-[5-(4-phenyl-N-pyridin-4-ylanilino)thiophen-2-yl]pyrrol-2-yl]thiophen-2-yl]pyridin-4-amine
CID 160983957
4-methyl-N-(4-phenylphenyl)-N-[4-[5-[4-(4-phenyl-N-[4-(trifluoromethyl)phenyl]anilino)phenyl]thiophen-2-yl]phenyl]aniline;N-[2-methyl-4-[5-[4-(4-phenyl-N-pyridin-3-ylanilino)-3-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-(2,3,4,5,6-pentafluorophenyl)-N-[4-[5-[4-(2,3,4,5,6-pentafluoro-N-(6-phenyl-3-pyridinyl)anilino)phenyl]thiophen-2-yl]phenyl]-6-phenylpyridin-3-amine;N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-N-[4-[5-[4-[4-(2,3,4,5,6-pentafluorophenyl)-N-pyridin-4-ylanilino]phenyl]thiophen-2-yl]phenyl]pyridin-3-amine
CID 162008426

Frequently Asked Questions

What is the IUPAC name of 8-[9-(5-methylthiophen-2-yl)-6-[3-[9-(5-methylthiophen-2-yl)-6-(5-phenylpyrido[4,3-b]indol-8-yl)carbazol-3-yl]pyrazin-2-yl]carbazol-3-yl]-5-phenylpyrido[4,3-b]indole?
The IUPAC name of 8-[9-(5-methylthiophen-2-yl)-6-[3-[9-(5-methylthiophen-2-yl)-6-(5-phenylpyrido[4,3-b]indol-8-yl)carbazol-3-yl]pyrazin-2-yl]carbazol-3-yl]-5-phenylpyrido[4,3-b]indole (CID 143802438) is 8-[9-(5-methylthiophen-2-yl)-6-[3-[9-(5-methylthiophen-2-yl)-6-(5-phenylpyrido[4,3-b]indol-8-yl)carbazol-3-yl]pyrazin-2-yl]carbazol-3-yl]-5-phenylpyrido[4,3-b]indole.
What is the SMILES notation for 8-[9-(5-methylthiophen-2-yl)-6-[3-[9-(5-methylthiophen-2-yl)-6-(5-phenylpyrido[4,3-b]indol-8-yl)carbazol-3-yl]pyrazin-2-yl]carbazol-3-yl]-5-phenylpyrido[4,3-b]indole?
The canonical SMILES for 8-[9-(5-methylthiophen-2-yl)-6-[3-[9-(5-methylthiophen-2-yl)-6-(5-phenylpyrido[4,3-b]indol-8-yl)carbazol-3-yl]pyrazin-2-yl]carbazol-3-yl]-5-phenylpyrido[4,3-b]indole is Cc1ccc(-n2c3ccc(-c4ccc5c(c4)c4cnccc4n5-c4ccccc4)cc3c3cc(-c4nccnc4-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6cnccc6n7-c6ccccc6)ccc4n5-c4ccc(C)s4)ccc32)s1.
What is the InChIKey of 8-[9-(5-methylthiophen-2-yl)-6-[3-[9-(5-methylthiophen-2-yl)-6-(5-phenylpyrido[4,3-b]indol-8-yl)carbazol-3-yl]pyrazin-2-yl]carbazol-3-yl]-5-phenylpyrido[4,3-b]indole?
The InChIKey is OPVOEMGIPKICRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H46N8S2/c1-43-13-27-69(81-43)79-63-23-17-45(47-15-21-61-57(37-47)59-41-73-31-29-67(59)77(61)51-9-5-3-6-10-51)35-53(63)55-39-49(19-25-65(55)79)71-72(76-34-33-75-71)50-20-26-66-56(40-50)54-36-46(18-24-64(54)80(66)70-28-14-44(2)82-70)48-16-22-62-58(38-48)60-42-74-32-30-68(60)78(62)52-11-7-4-8-12-52/h3-42H,1-2H3.
What are the key properties of 8-[9-(5-methylthiophen-2-yl)-6-[3-[9-(5-methylthiophen-2-yl)-6-(5-phenylpyrido[4,3-b]indol-8-yl)carbazol-3-yl]pyrazin-2-yl]carbazol-3-yl]-5-phenylpyrido[4,3-b]indole?
8-[9-(5-methylthiophen-2-yl)-6-[3-[9-(5-methylthiophen-2-yl)-6-(5-phenylpyrido[4,3-b]indol-8-yl)carbazol-3-yl]pyrazin-2-yl]carbazol-3-yl]-5-phenylpyrido[4,3-b]indole has a molecular weight of 1087.35 g/mol, XLogP of 19.06, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[9-(5-methylthiophen-2-yl)-6-[3-[9-(5-methylthiophen-2-yl)-6-(5-phenylpyrido[4,3-b]indol-8-yl)carbazol-3-yl]pyrazin-2-yl]carbazol-3-yl]-5-phenylpyrido[4,3-b]indole is sourced from PubChem (CID 143802438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).