3-[5-(5,11-diphenylindolo[3,2-b]carbazol-3-yl)benzo[b][1]benzosilol-5-yl]-5,11-diphenylindolo[3,2-b]carbazole

C72H46N4Si — CID 140937968

IUPAC3-[5-(5,11-diphenylindolo[3,2-b]carbazol-3-yl)benzo[b][1]benzosilol-5-yl]-5,11-diphenylindolo[3,2-b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccc([Si]3(c5ccc6c7cc8c(cc7n(-c7ccccc7)c6c5)c5ccccc5n8-c5ccccc5)c5ccccc5-c5ccccc53)cc2n4-c2ccccc2)cc1
InChIInChI=1S/C72H46N4Si/c1-5-21-47(22-6-1)73-63-33-17-13-29-53(63)59-43-69-61(45-67(59)73)55-39-37-51(41-65(55)75(69)49-25-9-3-10-26-49)77(71-35-19-15-31-57(71)58-32-16-20-36-72(58)77)52-38-40-56-62-46-68-60(44-70(62)76(66(56)42-52)50-27-11-4-12-28-50)54-30-14-18-34-64(54)74(68)48-23-7-2-8-24-48/h1-46H
InChIKeyGHHRCUWNCOEOKS-UHFFFAOYSA-N
MW995.27 g/mol
LogP15.43
Rot. Bonds6

About 3-[5-(5,11-diphenylindolo[3,2-b]carbazol-3-yl)benzo[b][1]benzosilol-5-yl]-5,11-diphenylindolo[3,2-b]carbazole

3-[5-(5,11-diphenylindolo[3,2-b]carbazol-3-yl)benzo[b][1]benzosilol-5-yl]-5,11-diphenylindolo[3,2-b]carbazole (PubChem CID 140937968) has the molecular formula C72H46N4Si and a molecular weight of 995.27 g/mol. Its IUPAC name is 3-[5-(5,11-diphenylindolo[3,2-b]carbazol-3-yl)benzo[b][1]benzosilol-5-yl]-5,11-diphenylindolo[3,2-b]carbazole.

Molecular Properties

Compound Name3-[5-(5,11-diphenylindolo[3,2-b]carbazol-3-yl)benzo[b][1]benzosilol-5-yl]-5,11-diphenylindolo[3,2-b]carbazole
PubChem CID140937968
Molecular FormulaC72H46N4Si
Molecular Weight995.27 g/mol
Exact Mass994.35
IUPAC Name3-[5-(5,11-diphenylindolo[3,2-b]carbazol-3-yl)benzo[b][1]benzosilol-5-yl]-5,11-diphenylindolo[3,2-b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccc([Si]3(c5ccc6c7cc8c(cc7n(-c7ccccc7)c6c5)c5ccccc5n8-c5ccccc5)c5ccccc5-c5ccccc53)cc2n4-c2ccccc2)cc1
InChIInChI=1S/C72H46N4Si/c1-5-21-47(22-6-1)73-63-33-17-13-29-53(63)59-43-69-61(45-67(59)73)55-39-37-51(41-65(55)75(69)49-25-9-3-10-26-49)77(71-35-19-15-31-57(71)58-32-16-20-36-72(58)77)52-38-40-56-62-46-68-60(44-70(62)76(66(56)42-52)50-27-11-4-12-28-50)54-30-14-18-34-64(54)74(68)48-23-7-2-8-24-48/h1-46H
InChIKeyGHHRCUWNCOEOKS-UHFFFAOYSA-N
XLogP15.43
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500995.27
LogP ≤ 515.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8,8,24-triphenyl-24-aza-8-silahexacyclo[13.11.0.02,7.09,14.017,25.018,23]hexacosa-1(15),2,4,6,9,11,13,16,18,20,22,25-dodecaene
CID 177069958
11-[3-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-b]carbazole
CID 140873106
9-[4-(20-phenyl-20-silapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaen-20-yl)phenyl]carbazole
CID 164739104
9-[3-[20-(3-carbazol-9-ylphenyl)-20-silapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaen-20-yl]phenyl]carbazole
CID 164739101
5-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-7-(4-phenylphenyl)indolo[2,3-b]carbazole
CID 140873038
7,7-dimethyl-5-(9-phenylcarbazol-2-yl)-[1]benzosilolo[2,3-b]carbazole
CID 123876607
9-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-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-nonaene
CID 140873053
9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-2-(5,10,10-triphenylsilanthren-5-yl)carbazole
CID 164757364
3-carbazol-9-yl-6-[2-(10-phenylbenzo[b][1,4]benzothiasilin-10-yl)carbazol-9-yl]-9-(2-phenylphenyl)carbazole
CID 164757340
3-[5-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzo[b][1]benzosilol-5-yl]-9-(3-phenylphenyl)carbazole
CID 177132548
2-carbazol-9-yl-9-phenylcarbazole
CID 118335086
3-(4-carbazol-9-ylphenyl)-5,11-diphenylindolo[3,2-b]carbazole
CID 134194444

Frequently Asked Questions

What is the IUPAC name of 3-[5-(5,11-diphenylindolo[3,2-b]carbazol-3-yl)benzo[b][1]benzosilol-5-yl]-5,11-diphenylindolo[3,2-b]carbazole?
The IUPAC name of 3-[5-(5,11-diphenylindolo[3,2-b]carbazol-3-yl)benzo[b][1]benzosilol-5-yl]-5,11-diphenylindolo[3,2-b]carbazole (CID 140937968) is 3-[5-(5,11-diphenylindolo[3,2-b]carbazol-3-yl)benzo[b][1]benzosilol-5-yl]-5,11-diphenylindolo[3,2-b]carbazole.
What is the SMILES notation for 3-[5-(5,11-diphenylindolo[3,2-b]carbazol-3-yl)benzo[b][1]benzosilol-5-yl]-5,11-diphenylindolo[3,2-b]carbazole?
The canonical SMILES for 3-[5-(5,11-diphenylindolo[3,2-b]carbazol-3-yl)benzo[b][1]benzosilol-5-yl]-5,11-diphenylindolo[3,2-b]carbazole is c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccc([Si]3(c5ccc6c7cc8c(cc7n(-c7ccccc7)c6c5)c5ccccc5n8-c5ccccc5)c5ccccc5-c5ccccc53)cc2n4-c2ccccc2)cc1.
What is the InChIKey of 3-[5-(5,11-diphenylindolo[3,2-b]carbazol-3-yl)benzo[b][1]benzosilol-5-yl]-5,11-diphenylindolo[3,2-b]carbazole?
The InChIKey is GHHRCUWNCOEOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H46N4Si/c1-5-21-47(22-6-1)73-63-33-17-13-29-53(63)59-43-69-61(45-67(59)73)55-39-37-51(41-65(55)75(69)49-25-9-3-10-26-49)77(71-35-19-15-31-57(71)58-32-16-20-36-72(58)77)52-38-40-56-62-46-68-60(44-70(62)76(66(56)42-52)50-27-11-4-12-28-50)54-30-14-18-34-64(54)74(68)48-23-7-2-8-24-48/h1-46H.
What are the key properties of 3-[5-(5,11-diphenylindolo[3,2-b]carbazol-3-yl)benzo[b][1]benzosilol-5-yl]-5,11-diphenylindolo[3,2-b]carbazole?
3-[5-(5,11-diphenylindolo[3,2-b]carbazol-3-yl)benzo[b][1]benzosilol-5-yl]-5,11-diphenylindolo[3,2-b]carbazole has a molecular weight of 995.27 g/mol, XLogP of 15.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(5,11-diphenylindolo[3,2-b]carbazol-3-yl)benzo[b][1]benzosilol-5-yl]-5,11-diphenylindolo[3,2-b]carbazole is sourced from PubChem (CID 140937968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).