[9-[2-(3-carbazol-9-ylphenyl)-6-[2-[[3-[9-[2-(3-carbazol-9-ylphenyl)-6-(2-triphenylsilylbenzimidazolo[1,2-a]benzimidazol-5-yl)pyrimidin-4-yl]carbazol-3-yl]phenyl]-diphenylsilyl]benzimidazolo[1,2-a]benzimidazol-6-yl]pyrimidin-4-yl]carbazol-3-yl]-triphenylsilane

C148H98N14Si3 — CID 174093191

IUPAC[9-[2-(3-carbazol-9-ylphenyl)-6-[2-[[3-[9-[2-(3-carbazol-9-ylphenyl)-6-(2-triphenylsilylbenzimidazolo[1,2-a]benzimidazol-5-yl)pyrimidin-4-yl]carbazol-3-yl]phenyl]-diphenylsilyl]benzimidazolo[1,2-a]benzimidazol-6-yl]pyrimidin-4-yl]carbazol-3-yl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2cc(-n3c4ccccc4n4c5cc([Si](c6ccccc6)(c6ccccc6)c6cccc(-c7ccc8c(c7)c7ccccc7n8-c7cc(-n8c9ccc([Si](c%10ccccc%10)(c%10ccccc%10)c%10ccccc%10)cc9n9c%10ccccc%10nc89)nc(-c8cccc(-n9c%10ccccc%10c%10ccccc%109)c8)n7)c6)ccc5nc34)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc1
InChIInChI=1S/C148H98N14Si3/c1-9-49-105(50-10-1)163(106-51-11-2-12-52-106,107-53-13-3-14-54-107)114-84-88-134-124(94-114)122-71-30-37-78-132(122)158(134)142-97-143(153-145(152-142)101-45-41-47-103(90-101)155-127-73-32-25-66-117(127)118-67-26-33-74-128(118)155)161-137-81-40-39-80-136(137)160-139-95-115(83-86-126(139)150-148(160)161)165(111-61-21-7-22-62-111,112-63-23-8-24-64-112)113-65-43-44-99(92-113)100-82-87-133-123(93-100)121-70-29-36-77-131(121)157(133)141-98-144(154-146(151-141)102-46-42-48-104(91-102)156-129-75-34-27-68-119(129)120-69-28-35-76-130(120)156)162-138-89-85-116(96-140(138)159-135-79-38-31-72-125(135)149-147(159)162)164(108-55-15-4-16-56-108,109-57-17-5-18-58-109)110-59-19-6-20-60-110/h1-98H
InChIKeyMOKFFANFXQNPED-UHFFFAOYSA-N
MW2156.77 g/mol
LogP26.28
Rot. Bonds21

About [9-[2-(3-carbazol-9-ylphenyl)-6-[2-[[3-[9-[2-(3-carbazol-9-ylphenyl)-6-(2-triphenylsilylbenzimidazolo[1,2-a]benzimidazol-5-yl)pyrimidin-4-yl]carbazol-3-yl]phenyl]-diphenylsilyl]benzimidazolo[1,2-a]benzimidazol-6-yl]pyrimidin-4-yl]carbazol-3-yl]-triphenylsilane

[9-[2-(3-carbazol-9-ylphenyl)-6-[2-[[3-[9-[2-(3-carbazol-9-ylphenyl)-6-(2-triphenylsilylbenzimidazolo[1,2-a]benzimidazol-5-yl)pyrimidin-4-yl]carbazol-3-yl]phenyl]-diphenylsilyl]benzimidazolo[1,2-a]benzimidazol-6-yl]pyrimidin-4-yl]carbazol-3-yl]-triphenylsilane (PubChem CID 174093191) has the molecular formula C148H98N14Si3 and a molecular weight of 2156.77 g/mol. Its IUPAC name is [9-[2-(3-carbazol-9-ylphenyl)-6-[2-[[3-[9-[2-(3-carbazol-9-ylphenyl)-6-(2-triphenylsilylbenzimidazolo[1,2-a]benzimidazol-5-yl)pyrimidin-4-yl]carbazol-3-yl]phenyl]-diphenylsilyl]benzimidazolo[1,2-a]benzimidazol-6-yl]pyrimidin-4-yl]carbazol-3-yl]-triphenylsilane.

Molecular Properties

Compound Name[9-[2-(3-carbazol-9-ylphenyl)-6-[2-[[3-[9-[2-(3-carbazol-9-ylphenyl)-6-(2-triphenylsilylbenzimidazolo[1,2-a]benzimidazol-5-yl)pyrimidin-4-yl]carbazol-3-yl]phenyl]-diphenylsilyl]benzimidazolo[1,2-a]benzimidazol-6-yl]pyrimidin-4-yl]carbazol-3-yl]-triphenylsilane
PubChem CID174093191
Molecular FormulaC148H98N14Si3
Molecular Weight2156.77 g/mol
Exact Mass2154.74
IUPAC Name[9-[2-(3-carbazol-9-ylphenyl)-6-[2-[[3-[9-[2-(3-carbazol-9-ylphenyl)-6-(2-triphenylsilylbenzimidazolo[1,2-a]benzimidazol-5-yl)pyrimidin-4-yl]carbazol-3-yl]phenyl]-diphenylsilyl]benzimidazolo[1,2-a]benzimidazol-6-yl]pyrimidin-4-yl]carbazol-3-yl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2cc(-n3c4ccccc4n4c5cc([Si](c6ccccc6)(c6ccccc6)c6cccc(-c7ccc8c(c7)c7ccccc7n8-c7cc(-n8c9ccc([Si](c%10ccccc%10)(c%10ccccc%10)c%10ccccc%10)cc9n9c%10ccccc%10nc89)nc(-c8cccc(-n9c%10ccccc%10c%10ccccc%109)c8)n7)c6)ccc5nc34)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc1
InChIInChI=1S/C148H98N14Si3/c1-9-49-105(50-10-1)163(106-51-11-2-12-52-106,107-53-13-3-14-54-107)114-84-88-134-124(94-114)122-71-30-37-78-132(122)158(134)142-97-143(153-145(152-142)101-45-41-47-103(90-101)155-127-73-32-25-66-117(127)118-67-26-33-74-128(118)155)161-137-81-40-39-80-136(137)160-139-95-115(83-86-126(139)150-148(160)161)165(111-61-21-7-22-62-111,112-63-23-8-24-64-112)113-65-43-44-99(92-113)100-82-87-133-123(93-100)121-70-29-36-77-131(121)157(133)141-98-144(154-146(151-141)102-46-42-48-104(91-102)156-129-75-34-27-68-119(129)120-69-28-35-76-130(120)156)162-138-89-85-116(96-140(138)159-135-79-38-31-72-125(135)149-147(159)162)164(108-55-15-4-16-56-108,109-57-17-5-18-58-109)110-59-19-6-20-60-110/h1-98H
InChIKeyMOKFFANFXQNPED-UHFFFAOYSA-N
XLogP26.28
TPSA115.74 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds21
Heavy Atoms165
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002156.77
LogP ≤ 526.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze [9-[2-(3-carbazol-9-ylphenyl)-6-[2-[[3-[9-[2-(3-carbazol-9-ylphenyl)-6-(2-triphenylsilylbenzimidazolo[1,2-a]benzimidazol-5-yl)pyrimidin-4-yl]carbazol-3-yl]phenyl]-diphenylsilyl]benzimidazolo[1,2-a]benzimidazol-6-yl]pyrimidin-4-yl]carbazol-3-yl]-triphenylsilane with MolForge

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Related Compounds

[9-[6-[3,6-bis(triphenylsilyl)carbazol-9-yl]-2-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]-6-triphenylsilylcarbazol-3-yl]-triphenylsilane
CID 174090415
[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-(3,6-diphenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 168826577
[2-[2-[6-[6-(benzimidazolo[1,2-a]benzimidazol-5-yl)-4-[[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilyl]-2-pyridinyl]benzimidazolo[1,2-a]benzimidazol-3-yl]benzimidazolo[1,2-a]benzimidazol-6-yl]-6-carbazol-9-yl-4-pyridinyl]-dibenzothiophen-2-yl-diphenylsilane
CID 174093669
[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-[3-[6-[4-carbazol-9-yl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]benzimidazolo[1,2-a]benzimidazol-3-yl]carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]-dibenzothiophen-2-yl-diphenylsilane
CID 174093587
[3-[3,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 171405556
[3-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane
CID 90773884
[3-[4-carbazol-9-yl-6-(3-phenylcarbazol-9-yl)pyrimidin-2-yl]-5-[diphenyl-(4-phenylphenyl)silyl]phenyl]-diphenyl-(4-phenylphenyl)silane
CID 169031827
[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-[3-[6-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-[[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilyl]-1,3,5-triazin-2-yl]benzimidazolo[1,2-a]benzimidazol-2-yl]carbazol-9-yl]-1,3,5-triazin-2-yl]-dibenzothiophen-2-yl-diphenylsilane
CID 174093611
9-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]carbazole-3-carbonitrile
CID 168826513
triphenyl-[3-[3-[3-(9-phenylcarbazol-3-yl)-6-(3-phenylphenyl)carbazol-9-yl]phenyl]phenyl]silane
CID 166589020
triphenyl-[3-[3-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazol-9-yl]phenyl]phenyl]silane
CID 140782755
[3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;methane
CID 158156275

Frequently Asked Questions

What is the IUPAC name of [9-[2-(3-carbazol-9-ylphenyl)-6-[2-[[3-[9-[2-(3-carbazol-9-ylphenyl)-6-(2-triphenylsilylbenzimidazolo[1,2-a]benzimidazol-5-yl)pyrimidin-4-yl]carbazol-3-yl]phenyl]-diphenylsilyl]benzimidazolo[1,2-a]benzimidazol-6-yl]pyrimidin-4-yl]carbazol-3-yl]-triphenylsilane?
The IUPAC name of [9-[2-(3-carbazol-9-ylphenyl)-6-[2-[[3-[9-[2-(3-carbazol-9-ylphenyl)-6-(2-triphenylsilylbenzimidazolo[1,2-a]benzimidazol-5-yl)pyrimidin-4-yl]carbazol-3-yl]phenyl]-diphenylsilyl]benzimidazolo[1,2-a]benzimidazol-6-yl]pyrimidin-4-yl]carbazol-3-yl]-triphenylsilane (CID 174093191) is [9-[2-(3-carbazol-9-ylphenyl)-6-[2-[[3-[9-[2-(3-carbazol-9-ylphenyl)-6-(2-triphenylsilylbenzimidazolo[1,2-a]benzimidazol-5-yl)pyrimidin-4-yl]carbazol-3-yl]phenyl]-diphenylsilyl]benzimidazolo[1,2-a]benzimidazol-6-yl]pyrimidin-4-yl]carbazol-3-yl]-triphenylsilane.
What is the SMILES notation for [9-[2-(3-carbazol-9-ylphenyl)-6-[2-[[3-[9-[2-(3-carbazol-9-ylphenyl)-6-(2-triphenylsilylbenzimidazolo[1,2-a]benzimidazol-5-yl)pyrimidin-4-yl]carbazol-3-yl]phenyl]-diphenylsilyl]benzimidazolo[1,2-a]benzimidazol-6-yl]pyrimidin-4-yl]carbazol-3-yl]-triphenylsilane?
The canonical SMILES for [9-[2-(3-carbazol-9-ylphenyl)-6-[2-[[3-[9-[2-(3-carbazol-9-ylphenyl)-6-(2-triphenylsilylbenzimidazolo[1,2-a]benzimidazol-5-yl)pyrimidin-4-yl]carbazol-3-yl]phenyl]-diphenylsilyl]benzimidazolo[1,2-a]benzimidazol-6-yl]pyrimidin-4-yl]carbazol-3-yl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2cc(-n3c4ccccc4n4c5cc([Si](c6ccccc6)(c6ccccc6)c6cccc(-c7ccc8c(c7)c7ccccc7n8-c7cc(-n8c9ccc([Si](c%10ccccc%10)(c%10ccccc%10)c%10ccccc%10)cc9n9c%10ccccc%10nc89)nc(-c8cccc(-n9c%10ccccc%10c%10ccccc%109)c8)n7)c6)ccc5nc34)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc1.
What is the InChIKey of [9-[2-(3-carbazol-9-ylphenyl)-6-[2-[[3-[9-[2-(3-carbazol-9-ylphenyl)-6-(2-triphenylsilylbenzimidazolo[1,2-a]benzimidazol-5-yl)pyrimidin-4-yl]carbazol-3-yl]phenyl]-diphenylsilyl]benzimidazolo[1,2-a]benzimidazol-6-yl]pyrimidin-4-yl]carbazol-3-yl]-triphenylsilane?
The InChIKey is MOKFFANFXQNPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C148H98N14Si3/c1-9-49-105(50-10-1)163(106-51-11-2-12-52-106,107-53-13-3-14-54-107)114-84-88-134-124(94-114)122-71-30-37-78-132(122)158(134)142-97-143(153-145(152-142)101-45-41-47-103(90-101)155-127-73-32-25-66-117(127)118-67-26-33-74-128(118)155)161-137-81-40-39-80-136(137)160-139-95-115(83-86-126(139)150-148(160)161)165(111-61-21-7-22-62-111,112-63-23-8-24-64-112)113-65-43-44-99(92-113)100-82-87-133-123(93-100)121-70-29-36-77-131(121)157(133)141-98-144(154-146(151-141)102-46-42-48-104(91-102)156-129-75-34-27-68-119(129)120-69-28-35-76-130(120)156)162-138-89-85-116(96-140(138)159-135-79-38-31-72-125(135)149-147(159)162)164(108-55-15-4-16-56-108,109-57-17-5-18-58-109)110-59-19-6-20-60-110/h1-98H.
What are the key properties of [9-[2-(3-carbazol-9-ylphenyl)-6-[2-[[3-[9-[2-(3-carbazol-9-ylphenyl)-6-(2-triphenylsilylbenzimidazolo[1,2-a]benzimidazol-5-yl)pyrimidin-4-yl]carbazol-3-yl]phenyl]-diphenylsilyl]benzimidazolo[1,2-a]benzimidazol-6-yl]pyrimidin-4-yl]carbazol-3-yl]-triphenylsilane?
[9-[2-(3-carbazol-9-ylphenyl)-6-[2-[[3-[9-[2-(3-carbazol-9-ylphenyl)-6-(2-triphenylsilylbenzimidazolo[1,2-a]benzimidazol-5-yl)pyrimidin-4-yl]carbazol-3-yl]phenyl]-diphenylsilyl]benzimidazolo[1,2-a]benzimidazol-6-yl]pyrimidin-4-yl]carbazol-3-yl]-triphenylsilane has a molecular weight of 2156.77 g/mol, XLogP of 26.28, 21 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for [9-[2-(3-carbazol-9-ylphenyl)-6-[2-[[3-[9-[2-(3-carbazol-9-ylphenyl)-6-(2-triphenylsilylbenzimidazolo[1,2-a]benzimidazol-5-yl)pyrimidin-4-yl]carbazol-3-yl]phenyl]-diphenylsilyl]benzimidazolo[1,2-a]benzimidazol-6-yl]pyrimidin-4-yl]carbazol-3-yl]-triphenylsilane is sourced from PubChem (CID 174093191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).