7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[4-[9-[11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazol-9-yl]carbazol-4-yl]phenyl]-9-(4-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-b]carbazole

C114H68N10S2 — CID 166836622

IUPAC7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[4-[9-[11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazol-9-yl]carbazol-4-yl]phenyl]-9-(4-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5cc(-n6c7ccccc7c7c(-c8ccccc8)cccc76)ccc5c5cc6c(cc54)sc4cc(-c5ccc(-c7cccc8c7c7ccccc7n8-c7ccc8c9cc%10sc%11ccccc%11c%10cc9n(-c9cccc(-c%10nc(-c%11ccccc%11)nc(-c%11ccccc%11)n%10)c9)c8c7)cc5)ccc46)c3)n2)cc1
InChIInChI=1S/C114H68N10S2/c1-6-26-70(27-7-1)83-43-24-47-97-107(83)89-41-16-19-45-95(89)121(97)81-55-58-85-91-65-93-88-57-54-76(62-104(88)126-106(93)68-102(91)124(99(85)63-81)80-39-23-37-78(61-80)114-119-111(74-32-12-4-13-33-74)116-112(120-114)75-34-14-5-15-35-75)69-50-52-71(53-51-69)84-44-25-48-98-108(84)90-42-17-20-46-96(90)122(98)82-56-59-86-92-67-105-94(87-40-18-21-49-103(87)125-105)66-101(92)123(100(86)64-82)79-38-22-36-77(60-79)113-117-109(72-28-8-2-9-29-72)115-110(118-113)73-30-10-3-11-31-73/h1-68H
InChIKeyQPHSGPPBNCHVFC-UHFFFAOYSA-N
MW1642.00 g/mol
LogP30.18
Rot. Bonds13

About 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[4-[9-[11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazol-9-yl]carbazol-4-yl]phenyl]-9-(4-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-b]carbazole

7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[4-[9-[11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazol-9-yl]carbazol-4-yl]phenyl]-9-(4-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-b]carbazole (PubChem CID 166836622) has the molecular formula C114H68N10S2 and a molecular weight of 1642.00 g/mol. Its IUPAC name is 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[4-[9-[11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazol-9-yl]carbazol-4-yl]phenyl]-9-(4-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-b]carbazole.

Molecular Properties

Compound Name7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[4-[9-[11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazol-9-yl]carbazol-4-yl]phenyl]-9-(4-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-b]carbazole
PubChem CID166836622
Molecular FormulaC114H68N10S2
Molecular Weight1642.00 g/mol
Exact Mass1640.51
IUPAC Name7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[4-[9-[11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazol-9-yl]carbazol-4-yl]phenyl]-9-(4-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5cc(-n6c7ccccc7c7c(-c8ccccc8)cccc76)ccc5c5cc6c(cc54)sc4cc(-c5ccc(-c7cccc8c7c7ccccc7n8-c7ccc8c9cc%10sc%11ccccc%11c%10cc9n(-c9cccc(-c%10nc(-c%11ccccc%11)nc(-c%11ccccc%11)n%10)c9)c8c7)cc5)ccc46)c3)n2)cc1
InChIInChI=1S/C114H68N10S2/c1-6-26-70(27-7-1)83-43-24-47-97-107(83)89-41-16-19-45-95(89)121(97)81-55-58-85-91-65-93-88-57-54-76(62-104(88)126-106(93)68-102(91)124(99(85)63-81)80-39-23-37-78(61-80)114-119-111(74-32-12-4-13-33-74)116-112(120-114)75-34-14-5-15-35-75)69-50-52-71(53-51-69)84-44-25-48-98-108(84)90-42-17-20-46-96(90)122(98)82-56-59-86-92-67-105-94(87-40-18-21-49-103(87)125-105)66-101(92)123(100(86)64-82)79-38-22-36-77(60-79)113-117-109(72-28-8-2-9-29-72)115-110(118-113)73-30-10-3-11-31-73/h1-68H
InChIKeyQPHSGPPBNCHVFC-UHFFFAOYSA-N
XLogP30.18
TPSA97.06 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001642.00
LogP ≤ 530.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[4-[9-[11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazol-9-yl]carbazol-4-yl]phenyl]-9-(4-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-b]carbazole with MolForge

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Related Compounds

9-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylcarbazole
CID 146572320
7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(2-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-b]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(2-phenylcarbazol-9-yl)-[1]benzothiolo[3,2-b]carbazole;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(2-phenylcarbazol-9-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 163444187
9-carbazol-9-yl-7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 155006788
3-carbazol-9-yl-9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazole;3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 161317954
4-[3-[4-dibenzothiophen-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 146572660
7-[4-[4-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-6-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 126630835
11-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-[1]benzothiolo[3,2-b]carbazole;11-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-[1]benzothiolo[3,2-b]carbazole
CID 157341243
3-(4-carbazol-9-ylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 163774507
9-dibenzothiophen-2-yl-4-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 139556307
9-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-3-phenylcarbazole
CID 154624627
5-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-3,9-diphenylcarbazole
CID 146572715
4-[4-dibenzothiophen-3-yl-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 165098762

Frequently Asked Questions

What is the IUPAC name of 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[4-[9-[11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazol-9-yl]carbazol-4-yl]phenyl]-9-(4-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-b]carbazole?
The IUPAC name of 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[4-[9-[11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazol-9-yl]carbazol-4-yl]phenyl]-9-(4-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-b]carbazole (CID 166836622) is 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[4-[9-[11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazol-9-yl]carbazol-4-yl]phenyl]-9-(4-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-b]carbazole.
What is the SMILES notation for 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[4-[9-[11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazol-9-yl]carbazol-4-yl]phenyl]-9-(4-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-b]carbazole?
The canonical SMILES for 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[4-[9-[11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazol-9-yl]carbazol-4-yl]phenyl]-9-(4-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-b]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5cc(-n6c7ccccc7c7c(-c8ccccc8)cccc76)ccc5c5cc6c(cc54)sc4cc(-c5ccc(-c7cccc8c7c7ccccc7n8-c7ccc8c9cc%10sc%11ccccc%11c%10cc9n(-c9cccc(-c%10nc(-c%11ccccc%11)nc(-c%11ccccc%11)n%10)c9)c8c7)cc5)ccc46)c3)n2)cc1.
What is the InChIKey of 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[4-[9-[11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazol-9-yl]carbazol-4-yl]phenyl]-9-(4-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-b]carbazole?
The InChIKey is QPHSGPPBNCHVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C114H68N10S2/c1-6-26-70(27-7-1)83-43-24-47-97-107(83)89-41-16-19-45-95(89)121(97)81-55-58-85-91-65-93-88-57-54-76(62-104(88)126-106(93)68-102(91)124(99(85)63-81)80-39-23-37-78(61-80)114-119-111(74-32-12-4-13-33-74)116-112(120-114)75-34-14-5-15-35-75)69-50-52-71(53-51-69)84-44-25-48-98-108(84)90-42-17-20-46-96(90)122(98)82-56-59-86-92-67-105-94(87-40-18-21-49-103(87)125-105)66-101(92)123(100(86)64-82)79-38-22-36-77(60-79)113-117-109(72-28-8-2-9-29-72)115-110(118-113)73-30-10-3-11-31-73/h1-68H.
What are the key properties of 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[4-[9-[11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazol-9-yl]carbazol-4-yl]phenyl]-9-(4-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-b]carbazole?
7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[4-[9-[11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazol-9-yl]carbazol-4-yl]phenyl]-9-(4-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-b]carbazole has a molecular weight of 1642.00 g/mol, XLogP of 30.18, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[4-[9-[11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazol-9-yl]carbazol-4-yl]phenyl]-9-(4-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-b]carbazole is sourced from PubChem (CID 166836622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).