phenyl-[9-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]carbazol-2-yl]-[9-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]carbazol-3-yl]borane

C90H57BN6 — CID 162187061

IUPACphenyl-[9-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]carbazol-2-yl]-[9-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]carbazol-3-yl]borane
SMILESc1ccc(B(c2ccc3c(c2)c2ccccc2n3-c2cccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)c2)c2ccc3c4ccccc4n(-c4cccc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8ccccc8)c7c65)c4)c3c2)cc1
InChIInChI=1S/C90H57BN6/c1-4-24-58(25-5-1)91(59-47-53-85-78(54-59)72-39-15-17-41-80(72)92(85)63-30-22-32-65(56-63)96-83-44-20-13-37-70(83)76-51-49-74-68-35-11-18-42-81(68)94(87(74)89(76)96)61-26-6-2-7-27-61)60-46-48-73-67-34-10-16-40-79(67)93(86(73)55-60)64-31-23-33-66(57-64)97-84-45-21-14-38-71(84)77-52-50-75-69-36-12-19-43-82(69)95(88(75)90(77)97)62-28-8-3-9-29-62/h1-57H
InChIKeyNSBPOSRPEVSKMN-UHFFFAOYSA-N
MW1233.30 g/mol
LogP20.79
Rot. Bonds9

About phenyl-[9-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]carbazol-2-yl]-[9-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]carbazol-3-yl]borane

phenyl-[9-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]carbazol-2-yl]-[9-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]carbazol-3-yl]borane (PubChem CID 162187061) has the molecular formula C90H57BN6 and a molecular weight of 1233.30 g/mol. Its IUPAC name is phenyl-[9-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]carbazol-2-yl]-[9-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]carbazol-3-yl]borane.

Molecular Properties

Compound Namephenyl-[9-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]carbazol-2-yl]-[9-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]carbazol-3-yl]borane
PubChem CID162187061
Molecular FormulaC90H57BN6
Molecular Weight1233.30 g/mol
Exact Mass1232.47
IUPAC Namephenyl-[9-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]carbazol-2-yl]-[9-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]carbazol-3-yl]borane
SMILESc1ccc(B(c2ccc3c(c2)c2ccccc2n3-c2cccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)c2)c2ccc3c4ccccc4n(-c4cccc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8ccccc8)c7c65)c4)c3c2)cc1
InChIInChI=1S/C90H57BN6/c1-4-24-58(25-5-1)91(59-47-53-85-78(54-59)72-39-15-17-41-80(72)92(85)63-30-22-32-65(56-63)96-83-44-20-13-37-70(83)76-51-49-74-68-35-11-18-42-81(68)94(87(74)89(76)96)61-26-6-2-7-27-61)60-46-48-73-67-34-10-16-40-79(67)93(86(73)55-60)64-31-23-33-66(57-64)97-84-45-21-14-38-71(84)77-52-50-75-69-36-12-19-43-82(69)95(88(75)90(77)97)62-28-8-3-9-29-62/h1-57H
InChIKeyNSBPOSRPEVSKMN-UHFFFAOYSA-N
XLogP20.79
TPSA29.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms97
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001233.30
LogP ≤ 520.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze phenyl-[9-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]carbazol-2-yl]-[9-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]carbazol-3-yl]borane with MolForge

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Related Compounds

[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazol-3-yl]-diphenylborane
CID 123178627
bis(1,3-dimethylnaphthalen-2-yl)-(11,12-diphenylindolo[2,3-a]carbazol-3-yl)borane
CID 123468655
5-phenyl-11-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-b]carbazole
CID 58038298
5-(3-carbazol-9-ylphenyl)-11-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]indolo[3,2-b]carbazole
CID 88917500
5-[3-[11-(3-carbazol-9-ylphenyl)indolo[2,3-a]carbazol-12-yl]-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 88917462
3,24-diphenyl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene
CID 122464954
11-phenyl-12-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]indolo[2,3-a]carbazole
CID 170268295
5-(3-carbazol-9-ylphenyl)-11-[3-[12-(3-carbazol-9-ylphenyl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[3,2-b]carbazole
CID 88917489
12-(6-carbazol-9-yl-2-pyridinyl)-11-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazole
CID 118041124
25-(3-carbazol-9-ylphenyl)-12-phenyl-12,25-diazaheptacyclo[15.11.0.02,14.05,13.06,11.018,26.019,24]octacosa-1(17),2(14),3,5(13),6,8,10,15,18(26),19,21,23,27-tridecaene
CID 142290041
2-(3-carbazol-9-ylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 121274440
5-[4-[4-[12-(3-carbazol-9-ylphenyl)indolo[2,3-a]carbazol-11-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 88917457

Frequently Asked Questions

What is the IUPAC name of phenyl-[9-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]carbazol-2-yl]-[9-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]carbazol-3-yl]borane?
The IUPAC name of phenyl-[9-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]carbazol-2-yl]-[9-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]carbazol-3-yl]borane (CID 162187061) is phenyl-[9-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]carbazol-2-yl]-[9-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]carbazol-3-yl]borane.
What is the SMILES notation for phenyl-[9-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]carbazol-2-yl]-[9-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]carbazol-3-yl]borane?
The canonical SMILES for phenyl-[9-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]carbazol-2-yl]-[9-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]carbazol-3-yl]borane is c1ccc(B(c2ccc3c(c2)c2ccccc2n3-c2cccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)c2)c2ccc3c4ccccc4n(-c4cccc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8ccccc8)c7c65)c4)c3c2)cc1.
What is the InChIKey of phenyl-[9-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]carbazol-2-yl]-[9-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]carbazol-3-yl]borane?
The InChIKey is NSBPOSRPEVSKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H57BN6/c1-4-24-58(25-5-1)91(59-47-53-85-78(54-59)72-39-15-17-41-80(72)92(85)63-30-22-32-65(56-63)96-83-44-20-13-37-70(83)76-51-49-74-68-35-11-18-42-81(68)94(87(74)89(76)96)61-26-6-2-7-27-61)60-46-48-73-67-34-10-16-40-79(67)93(86(73)55-60)64-31-23-33-66(57-64)97-84-45-21-14-38-71(84)77-52-50-75-69-36-12-19-43-82(69)95(88(75)90(77)97)62-28-8-3-9-29-62/h1-57H.
What are the key properties of phenyl-[9-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]carbazol-2-yl]-[9-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]carbazol-3-yl]borane?
phenyl-[9-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]carbazol-2-yl]-[9-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]carbazol-3-yl]borane has a molecular weight of 1233.30 g/mol, XLogP of 20.79, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[9-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]carbazol-2-yl]-[9-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]carbazol-3-yl]borane is sourced from PubChem (CID 162187061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).