diphenyl-(9-phenylcarbazol-3-yl)-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]silane;molecular hydrogen;5-phenyl-12H-indolo[3,2-c]carbazole

C84H59N5Si — CID 158679994

IUPACdiphenyl-(9-phenylcarbazol-3-yl)-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]silane;molecular hydrogen;5-phenyl-12H-indolo[3,2-c]carbazole
SMILES[H][H].c1ccc(-n2c3ccccc3c3c4[nH]c5ccccc5c4ccc32)cc1.c1ccc(-n2c3ccccc3c3cc([Si](c4ccccc4)(c4ccccc4)c4ccc(-n5c6ccccc6c6ccc7c(c8ccccc8n7-c7ccccc7)c65)cc4)ccc32)cc1
InChIInChI=1S/C60H41N3Si.C24H16N2.H2/c1-5-19-42(20-6-1)61-54-30-16-14-28-50(54)53-41-48(37-39-57(53)61)64(45-23-9-3-10-24-45,46-25-11-4-12-26-46)47-35-33-44(34-36-47)63-55-31-17-13-27-49(55)51-38-40-58-59(60(51)63)52-29-15-18-32-56(52)62(58)43-21-7-2-8-22-43;1-2-8-16(9-3-1)26-21-13-7-5-11-19(21)23-22(26)15-14-18-17-10-4-6-12-20(17)25-24(18)23;/h1-41H;1-15,25H;1H
InChIKeyIEZMMYOLRFXWRE-UHFFFAOYSA-N
MW1166.52 g/mol
LogP19.02
Rot. Bonds8

About diphenyl-(9-phenylcarbazol-3-yl)-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]silane;molecular hydrogen;5-phenyl-12H-indolo[3,2-c]carbazole

diphenyl-(9-phenylcarbazol-3-yl)-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]silane;molecular hydrogen;5-phenyl-12H-indolo[3,2-c]carbazole (PubChem CID 158679994) has the molecular formula C84H59N5Si and a molecular weight of 1166.52 g/mol. Its IUPAC name is diphenyl-(9-phenylcarbazol-3-yl)-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]silane;molecular hydrogen;5-phenyl-12H-indolo[3,2-c]carbazole.

Molecular Properties

Compound Namediphenyl-(9-phenylcarbazol-3-yl)-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]silane;molecular hydrogen;5-phenyl-12H-indolo[3,2-c]carbazole
PubChem CID158679994
Molecular FormulaC84H59N5Si
Molecular Weight1166.52 g/mol
Exact Mass1165.45
IUPAC Namediphenyl-(9-phenylcarbazol-3-yl)-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]silane;molecular hydrogen;5-phenyl-12H-indolo[3,2-c]carbazole
SMILES[H][H].c1ccc(-n2c3ccccc3c3c4[nH]c5ccccc5c4ccc32)cc1.c1ccc(-n2c3ccccc3c3cc([Si](c4ccccc4)(c4ccccc4)c4ccc(-n5c6ccccc6c6ccc7c(c8ccccc8n7-c7ccccc7)c65)cc4)ccc32)cc1
InChIInChI=1S/C60H41N3Si.C24H16N2.H2/c1-5-19-42(20-6-1)61-54-30-16-14-28-50(54)53-41-48(37-39-57(53)61)64(45-23-9-3-10-24-45,46-25-11-4-12-26-46)47-35-33-44(34-36-47)63-55-31-17-13-27-49(55)51-38-40-58-59(60(51)63)52-29-15-18-32-56(52)62(58)43-21-7-2-8-22-43;1-2-8-16(9-3-1)26-21-13-7-5-11-19(21)23-22(26)15-14-18-17-10-4-6-12-20(17)25-24(18)23;/h1-41H;1-15,25H;1H
InChIKeyIEZMMYOLRFXWRE-UHFFFAOYSA-N
XLogP19.02
TPSA35.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001166.52
LogP ≤ 519.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze diphenyl-(9-phenylcarbazol-3-yl)-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]silane;molecular hydrogen;5-phenyl-12H-indolo[3,2-c]carbazole with MolForge

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Related Compounds

[3-methyl-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane
CID 174109179
bis(11,12-diphenylindolo[2,3-a]carbazol-3-yl)-diphenylsilane
CID 58489663
[8-carbazol-9-yl-9-(9-phenylcarbazol-2-yl)carbazol-3-yl]-triphenylsilane
CID 170516287
12-[9-(9-phenylcarbazol-3-yl)carbazol-4-yl]-11H-indolo[2,3-a]carbazole
CID 170424202
bis(2,3,4,5,6-pentadeuteriophenyl)-phenyl-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]silane
CID 172534683
diphenyl-(9-phenylcarbazol-3-yl)-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]silane
CID 89393751
diphenyl-(9-phenylcarbazol-3-yl)-[9-[9-(4-phenylphenyl)carbazol-1-yl]carbazol-4-yl]silane
CID 171458283
diphenyl-[4-(9-phenylcarbazol-3-yl)phenyl]-[4-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]silane
CID 140842607
[5,12-di(dibenzofuran-2-yl)indolo[3,2-c]carbazol-9-yl]-triphenylsilane
CID 172534668
triphenyl-[3-[3-[1-(3-triphenylsilylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166588869
5-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole
CID 134240235
diphenyl-bis[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]silane
CID 88576991

Frequently Asked Questions

What is the IUPAC name of diphenyl-(9-phenylcarbazol-3-yl)-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]silane;molecular hydrogen;5-phenyl-12H-indolo[3,2-c]carbazole?
The IUPAC name of diphenyl-(9-phenylcarbazol-3-yl)-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]silane;molecular hydrogen;5-phenyl-12H-indolo[3,2-c]carbazole (CID 158679994) is diphenyl-(9-phenylcarbazol-3-yl)-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]silane;molecular hydrogen;5-phenyl-12H-indolo[3,2-c]carbazole.
What is the SMILES notation for diphenyl-(9-phenylcarbazol-3-yl)-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]silane;molecular hydrogen;5-phenyl-12H-indolo[3,2-c]carbazole?
The canonical SMILES for diphenyl-(9-phenylcarbazol-3-yl)-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]silane;molecular hydrogen;5-phenyl-12H-indolo[3,2-c]carbazole is [H][H].c1ccc(-n2c3ccccc3c3c4[nH]c5ccccc5c4ccc32)cc1.c1ccc(-n2c3ccccc3c3cc([Si](c4ccccc4)(c4ccccc4)c4ccc(-n5c6ccccc6c6ccc7c(c8ccccc8n7-c7ccccc7)c65)cc4)ccc32)cc1.
What is the InChIKey of diphenyl-(9-phenylcarbazol-3-yl)-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]silane;molecular hydrogen;5-phenyl-12H-indolo[3,2-c]carbazole?
The InChIKey is IEZMMYOLRFXWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N3Si.C24H16N2.H2/c1-5-19-42(20-6-1)61-54-30-16-14-28-50(54)53-41-48(37-39-57(53)61)64(45-23-9-3-10-24-45,46-25-11-4-12-26-46)47-35-33-44(34-36-47)63-55-31-17-13-27-49(55)51-38-40-58-59(60(51)63)52-29-15-18-32-56(52)62(58)43-21-7-2-8-22-43;1-2-8-16(9-3-1)26-21-13-7-5-11-19(21)23-22(26)15-14-18-17-10-4-6-12-20(17)25-24(18)23;/h1-41H;1-15,25H;1H.
What are the key properties of diphenyl-(9-phenylcarbazol-3-yl)-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]silane;molecular hydrogen;5-phenyl-12H-indolo[3,2-c]carbazole?
diphenyl-(9-phenylcarbazol-3-yl)-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]silane;molecular hydrogen;5-phenyl-12H-indolo[3,2-c]carbazole has a molecular weight of 1166.52 g/mol, XLogP of 19.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-(9-phenylcarbazol-3-yl)-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]silane;molecular hydrogen;5-phenyl-12H-indolo[3,2-c]carbazole is sourced from PubChem (CID 158679994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).