[9-[6-[3,6-bis(triphenylsilyl)carbazol-9-yl]-2-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]-6-triphenylsilylcarbazol-3-yl]-triphenylsilane

C118H85N5Si4 — CID 174090415

IUPAC[9-[6-[3,6-bis(triphenylsilyl)carbazol-9-yl]-2-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]-6-triphenylsilylcarbazol-3-yl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc3c(c2)c2cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)ccc2n3-c2cc(-n3c4ccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc4c4cc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)ccc43)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc1
InChIInChI=1S/C118H85N5Si4/c1-13-44-88(45-14-1)124(89-46-15-2-16-47-89,90-48-17-3-18-49-90)100-72-76-112-106(81-100)107-82-101(125(91-50-19-4-20-51-91,92-52-21-5-22-53-92)93-54-23-6-24-55-93)73-77-113(107)122(112)116-85-117(120-118(119-116)86-42-41-43-87(80-86)121-110-70-39-37-68-104(110)105-69-38-40-71-111(105)121)123-114-78-74-102(126(94-56-25-7-26-57-94,95-58-27-8-28-59-95)96-60-29-9-30-61-96)83-108(114)109-84-103(75-79-115(109)123)127(97-62-31-10-32-63-97,98-64-33-11-34-65-98)99-66-35-12-36-67-99/h1-85H
InChIKeyJMYBMKMKUZLIGJ-UHFFFAOYSA-N
MW1685.36 g/mol
LogP16.94
Rot. Bonds20

About [9-[6-[3,6-bis(triphenylsilyl)carbazol-9-yl]-2-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]-6-triphenylsilylcarbazol-3-yl]-triphenylsilane

[9-[6-[3,6-bis(triphenylsilyl)carbazol-9-yl]-2-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]-6-triphenylsilylcarbazol-3-yl]-triphenylsilane (PubChem CID 174090415) has the molecular formula C118H85N5Si4 and a molecular weight of 1685.36 g/mol. Its IUPAC name is [9-[6-[3,6-bis(triphenylsilyl)carbazol-9-yl]-2-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]-6-triphenylsilylcarbazol-3-yl]-triphenylsilane.

Molecular Properties

Compound Name[9-[6-[3,6-bis(triphenylsilyl)carbazol-9-yl]-2-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]-6-triphenylsilylcarbazol-3-yl]-triphenylsilane
PubChem CID174090415
Molecular FormulaC118H85N5Si4
Molecular Weight1685.36 g/mol
Exact Mass1683.59
IUPAC Name[9-[6-[3,6-bis(triphenylsilyl)carbazol-9-yl]-2-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]-6-triphenylsilylcarbazol-3-yl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc3c(c2)c2cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)ccc2n3-c2cc(-n3c4ccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc4c4cc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)ccc43)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc1
InChIInChI=1S/C118H85N5Si4/c1-13-44-88(45-14-1)124(89-46-15-2-16-47-89,90-48-17-3-18-49-90)100-72-76-112-106(81-100)107-82-101(125(91-50-19-4-20-51-91,92-52-21-5-22-53-92)93-54-23-6-24-55-93)73-77-113(107)122(112)116-85-117(120-118(119-116)86-42-41-43-87(80-86)121-110-70-39-37-68-104(110)105-69-38-40-71-111(105)121)123-114-78-74-102(126(94-56-25-7-26-57-94,95-58-27-8-28-59-95)96-60-29-9-30-61-96)83-108(114)109-84-103(75-79-115(109)123)127(97-62-31-10-32-63-97,98-64-33-11-34-65-98)99-66-35-12-36-67-99/h1-85H
InChIKeyJMYBMKMKUZLIGJ-UHFFFAOYSA-N
XLogP16.94
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms127
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001685.36
LogP ≤ 516.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[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
(4-carbazol-9-ylphenyl)-[4-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]phenyl]-diphenylsilane
CID 174090365
[3-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 162492124
[3-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 176643464
[9-[2-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]carbazol-3-yl]-triphenylsilane
CID 169052984
[3-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-(4-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 169281943
[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
[4-[4,6-bis[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]phenyl]-triphenylsilane
CID 140728526
[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
diphenyl-(9-phenylcarbazol-3-yl)-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]silane
CID 89393751
[3-[4-(3-carbazol-9-ylphenyl)-6-(3,5-dimethylphenyl)pyrimidin-2-yl]phenyl]-triphenylsilane
CID 162701563

Frequently Asked Questions

What is the IUPAC name of [9-[6-[3,6-bis(triphenylsilyl)carbazol-9-yl]-2-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]-6-triphenylsilylcarbazol-3-yl]-triphenylsilane?
The IUPAC name of [9-[6-[3,6-bis(triphenylsilyl)carbazol-9-yl]-2-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]-6-triphenylsilylcarbazol-3-yl]-triphenylsilane (CID 174090415) is [9-[6-[3,6-bis(triphenylsilyl)carbazol-9-yl]-2-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]-6-triphenylsilylcarbazol-3-yl]-triphenylsilane.
What is the SMILES notation for [9-[6-[3,6-bis(triphenylsilyl)carbazol-9-yl]-2-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]-6-triphenylsilylcarbazol-3-yl]-triphenylsilane?
The canonical SMILES for [9-[6-[3,6-bis(triphenylsilyl)carbazol-9-yl]-2-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]-6-triphenylsilylcarbazol-3-yl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc3c(c2)c2cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)ccc2n3-c2cc(-n3c4ccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc4c4cc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)ccc43)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc1.
What is the InChIKey of [9-[6-[3,6-bis(triphenylsilyl)carbazol-9-yl]-2-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]-6-triphenylsilylcarbazol-3-yl]-triphenylsilane?
The InChIKey is JMYBMKMKUZLIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C118H85N5Si4/c1-13-44-88(45-14-1)124(89-46-15-2-16-47-89,90-48-17-3-18-49-90)100-72-76-112-106(81-100)107-82-101(125(91-50-19-4-20-51-91,92-52-21-5-22-53-92)93-54-23-6-24-55-93)73-77-113(107)122(112)116-85-117(120-118(119-116)86-42-41-43-87(80-86)121-110-70-39-37-68-104(110)105-69-38-40-71-111(105)121)123-114-78-74-102(126(94-56-25-7-26-57-94,95-58-27-8-28-59-95)96-60-29-9-30-61-96)83-108(114)109-84-103(75-79-115(109)123)127(97-62-31-10-32-63-97,98-64-33-11-34-65-98)99-66-35-12-36-67-99/h1-85H.
What are the key properties of [9-[6-[3,6-bis(triphenylsilyl)carbazol-9-yl]-2-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]-6-triphenylsilylcarbazol-3-yl]-triphenylsilane?
[9-[6-[3,6-bis(triphenylsilyl)carbazol-9-yl]-2-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]-6-triphenylsilylcarbazol-3-yl]-triphenylsilane has a molecular weight of 1685.36 g/mol, XLogP of 16.94, 20 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [9-[6-[3,6-bis(triphenylsilyl)carbazol-9-yl]-2-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]-6-triphenylsilylcarbazol-3-yl]-triphenylsilane is sourced from PubChem (CID 174090415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).