5-[4-[4-[4-[2-[4-[4-[4-[4-(4-benzo[b]carbazol-5-yl-3-dibenzothiophen-2-ylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-phenylphenyl]phenyl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-dibenzothiophen-2-ylphenyl]benzo[b]carbazole

C146H90N8S2 — CID 163796934

IUPAC5-[4-[4-[4-[2-[4-[4-[4-[4-(4-benzo[b]carbazol-5-yl-3-dibenzothiophen-2-ylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-phenylphenyl]phenyl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-dibenzothiophen-2-ylphenyl]benzo[b]carbazole
SMILESc1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccc(-c6ccc(-c7ccccc7)cc6-c6ccc(-c7ccc(-c8ccc(-c9nc(-c%10cccc(-c%11ccc(-c%12ccccc%12)cc%11)c%10)nc(-c%10ccc(-n%11c%12ccccc%12c%12cc%13ccccc%13cc%12%11)c(-c%11ccc%12sc%13ccccc%13c%12c%11)c%10)n9)cc8)cc7)cc6)cc5)nc(-c5ccc(-n6c7ccccc7c7cc8ccccc8cc76)c(-c6ccc7sc8ccccc8c7c6)c5)n4)cc3)cc2)cc1
InChIInChI=1S/C146H90N8S2/c1-4-23-91(24-5-1)94-43-45-97(46-44-94)100-57-65-105(66-58-100)141-147-142(150-145(149-141)117-72-77-133(125(87-117)114-74-79-139-129(85-114)122-37-16-20-41-137(122)155-139)153-131-39-18-14-35-120(131)127-83-109-29-10-12-31-111(109)89-135(127)153)107-69-63-103(64-70-107)119-76-71-113(93-27-8-3-9-28-93)82-124(119)104-61-55-99(56-62-104)96-47-49-98(50-48-96)101-59-67-106(68-60-101)143-148-144(116-34-22-33-108(81-116)102-53-51-95(52-54-102)92-25-6-2-7-26-92)152-146(151-143)118-73-78-134(126(88-118)115-75-80-140-130(86-115)123-38-17-21-42-138(123)156-140)154-132-40-19-15-36-121(132)128-84-110-30-11-13-32-112(110)90-136(128)154/h1-90H
InChIKeyNBPRTIICCNKDJO-UHFFFAOYSA-N
MW2020.52 g/mol
LogP39.63
Rot. Bonds19

About 5-[4-[4-[4-[2-[4-[4-[4-[4-(4-benzo[b]carbazol-5-yl-3-dibenzothiophen-2-ylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-phenylphenyl]phenyl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-dibenzothiophen-2-ylphenyl]benzo[b]carbazole

5-[4-[4-[4-[2-[4-[4-[4-[4-(4-benzo[b]carbazol-5-yl-3-dibenzothiophen-2-ylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-phenylphenyl]phenyl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-dibenzothiophen-2-ylphenyl]benzo[b]carbazole (PubChem CID 163796934) has the molecular formula C146H90N8S2 and a molecular weight of 2020.52 g/mol. Its IUPAC name is 5-[4-[4-[4-[2-[4-[4-[4-[4-(4-benzo[b]carbazol-5-yl-3-dibenzothiophen-2-ylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-phenylphenyl]phenyl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-dibenzothiophen-2-ylphenyl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[4-[4-[4-[2-[4-[4-[4-[4-(4-benzo[b]carbazol-5-yl-3-dibenzothiophen-2-ylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-phenylphenyl]phenyl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-dibenzothiophen-2-ylphenyl]benzo[b]carbazole
PubChem CID163796934
Molecular FormulaC146H90N8S2
Molecular Weight2020.52 g/mol
Exact Mass2018.67
IUPAC Name5-[4-[4-[4-[2-[4-[4-[4-[4-(4-benzo[b]carbazol-5-yl-3-dibenzothiophen-2-ylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-phenylphenyl]phenyl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-dibenzothiophen-2-ylphenyl]benzo[b]carbazole
SMILESc1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccc(-c6ccc(-c7ccccc7)cc6-c6ccc(-c7ccc(-c8ccc(-c9nc(-c%10cccc(-c%11ccc(-c%12ccccc%12)cc%11)c%10)nc(-c%10ccc(-n%11c%12ccccc%12c%12cc%13ccccc%13cc%12%11)c(-c%11ccc%12sc%13ccccc%13c%12c%11)c%10)n9)cc8)cc7)cc6)cc5)nc(-c5ccc(-n6c7ccccc7c7cc8ccccc8cc76)c(-c6ccc7sc8ccccc8c7c6)c5)n4)cc3)cc2)cc1
InChIInChI=1S/C146H90N8S2/c1-4-23-91(24-5-1)94-43-45-97(46-44-94)100-57-65-105(66-58-100)141-147-142(150-145(149-141)117-72-77-133(125(87-117)114-74-79-139-129(85-114)122-37-16-20-41-137(122)155-139)153-131-39-18-14-35-120(131)127-83-109-29-10-12-31-111(109)89-135(127)153)107-69-63-103(64-70-107)119-76-71-113(93-27-8-3-9-28-93)82-124(119)104-61-55-99(56-62-104)96-47-49-98(50-48-96)101-59-67-106(68-60-101)143-148-144(116-34-22-33-108(81-116)102-53-51-95(52-54-102)92-25-6-2-7-26-92)152-146(151-143)118-73-78-134(126(88-118)115-75-80-140-130(86-115)123-38-17-21-42-138(123)156-140)154-132-40-19-15-36-121(132)128-84-110-30-11-13-32-112(110)90-136(128)154/h1-90H
InChIKeyNBPRTIICCNKDJO-UHFFFAOYSA-N
XLogP39.63
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds19
Heavy Atoms156
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002020.52
LogP ≤ 539.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 5-[4-[4-[4-[2-[4-[4-[4-[4-(4-benzo[b]carbazol-5-yl-3-dibenzothiophen-2-ylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-phenylphenyl]phenyl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-dibenzothiophen-2-ylphenyl]benzo[b]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-[4-[2-[4-[4-[4-[4-(4-benzo[b]carbazol-5-yl-3-dibenzothiophen-2-ylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-phenylphenyl]phenyl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-dibenzothiophen-2-ylphenyl]benzo[b]carbazole?
The IUPAC name of 5-[4-[4-[4-[2-[4-[4-[4-[4-(4-benzo[b]carbazol-5-yl-3-dibenzothiophen-2-ylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-phenylphenyl]phenyl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-dibenzothiophen-2-ylphenyl]benzo[b]carbazole (CID 163796934) is 5-[4-[4-[4-[2-[4-[4-[4-[4-(4-benzo[b]carbazol-5-yl-3-dibenzothiophen-2-ylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-phenylphenyl]phenyl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-dibenzothiophen-2-ylphenyl]benzo[b]carbazole.
What is the SMILES notation for 5-[4-[4-[4-[2-[4-[4-[4-[4-(4-benzo[b]carbazol-5-yl-3-dibenzothiophen-2-ylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-phenylphenyl]phenyl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-dibenzothiophen-2-ylphenyl]benzo[b]carbazole?
The canonical SMILES for 5-[4-[4-[4-[2-[4-[4-[4-[4-(4-benzo[b]carbazol-5-yl-3-dibenzothiophen-2-ylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-phenylphenyl]phenyl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-dibenzothiophen-2-ylphenyl]benzo[b]carbazole is c1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccc(-c6ccc(-c7ccccc7)cc6-c6ccc(-c7ccc(-c8ccc(-c9nc(-c%10cccc(-c%11ccc(-c%12ccccc%12)cc%11)c%10)nc(-c%10ccc(-n%11c%12ccccc%12c%12cc%13ccccc%13cc%12%11)c(-c%11ccc%12sc%13ccccc%13c%12c%11)c%10)n9)cc8)cc7)cc6)cc5)nc(-c5ccc(-n6c7ccccc7c7cc8ccccc8cc76)c(-c6ccc7sc8ccccc8c7c6)c5)n4)cc3)cc2)cc1.
What is the InChIKey of 5-[4-[4-[4-[2-[4-[4-[4-[4-(4-benzo[b]carbazol-5-yl-3-dibenzothiophen-2-ylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-phenylphenyl]phenyl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-dibenzothiophen-2-ylphenyl]benzo[b]carbazole?
The InChIKey is NBPRTIICCNKDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C146H90N8S2/c1-4-23-91(24-5-1)94-43-45-97(46-44-94)100-57-65-105(66-58-100)141-147-142(150-145(149-141)117-72-77-133(125(87-117)114-74-79-139-129(85-114)122-37-16-20-41-137(122)155-139)153-131-39-18-14-35-120(131)127-83-109-29-10-12-31-111(109)89-135(127)153)107-69-63-103(64-70-107)119-76-71-113(93-27-8-3-9-28-93)82-124(119)104-61-55-99(56-62-104)96-47-49-98(50-48-96)101-59-67-106(68-60-101)143-148-144(116-34-22-33-108(81-116)102-53-51-95(52-54-102)92-25-6-2-7-26-92)152-146(151-143)118-73-78-134(126(88-118)115-75-80-140-130(86-115)123-38-17-21-42-138(123)156-140)154-132-40-19-15-36-121(132)128-84-110-30-11-13-32-112(110)90-136(128)154/h1-90H.
What are the key properties of 5-[4-[4-[4-[2-[4-[4-[4-[4-(4-benzo[b]carbazol-5-yl-3-dibenzothiophen-2-ylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-phenylphenyl]phenyl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-dibenzothiophen-2-ylphenyl]benzo[b]carbazole?
5-[4-[4-[4-[2-[4-[4-[4-[4-(4-benzo[b]carbazol-5-yl-3-dibenzothiophen-2-ylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-phenylphenyl]phenyl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-dibenzothiophen-2-ylphenyl]benzo[b]carbazole has a molecular weight of 2020.52 g/mol, XLogP of 39.63, 19 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-[4-[2-[4-[4-[4-[4-(4-benzo[b]carbazol-5-yl-3-dibenzothiophen-2-ylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-phenylphenyl]phenyl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-dibenzothiophen-2-ylphenyl]benzo[b]carbazole is sourced from PubChem (CID 163796934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).