12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]indolo[2,3-a]carbazole

C73H44N8 — CID 88886979

IUPAC12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]indolo[2,3-a]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4ccc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7c65)cc43)n2)cc1
InChIInChI=1S/C73H44N8/c1-5-21-45(22-6-1)67-74-68(46-23-7-2-8-24-46)76-71(75-67)49-37-39-53-51-29-13-17-33-59(51)73(61(53)43-49)60-34-18-14-30-52(60)54-40-38-50(44-62(54)73)80-63-35-19-15-31-55(63)57-41-42-58-56-32-16-20-36-64(56)81(66(58)65(57)80)72-78-69(47-25-9-3-10-26-47)77-70(79-72)48-27-11-4-12-28-48/h1-44H
InChIKeyWGVHPUQRCUFTQX-UHFFFAOYSA-N
MW1033.21 g/mol
LogP16.93
Rot. Bonds7

About 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]indolo[2,3-a]carbazole

12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]indolo[2,3-a]carbazole (PubChem CID 88886979) has the molecular formula C73H44N8 and a molecular weight of 1033.21 g/mol. Its IUPAC name is 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]indolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]indolo[2,3-a]carbazole
PubChem CID88886979
Molecular FormulaC73H44N8
Molecular Weight1033.21 g/mol
Exact Mass1032.37
IUPAC Name12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]indolo[2,3-a]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4ccc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7c65)cc43)n2)cc1
InChIInChI=1S/C73H44N8/c1-5-21-45(22-6-1)67-74-68(46-23-7-2-8-24-46)76-71(75-67)49-37-39-53-51-29-13-17-33-59(51)73(61(53)43-49)60-34-18-14-30-52(60)54-40-38-50(44-62(54)73)80-63-35-19-15-31-55(63)57-41-42-58-56-32-16-20-36-64(56)81(66(58)65(57)80)72-78-69(47-25-9-3-10-26-47)77-70(79-72)48-27-11-4-12-28-48/h1-44H
InChIKeyWGVHPUQRCUFTQX-UHFFFAOYSA-N
XLogP16.93
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001033.21
LogP ≤ 516.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]indolo[2,3-a]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]indolo[2,3-a]carbazole?
The IUPAC name of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]indolo[2,3-a]carbazole (CID 88886979) is 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]indolo[2,3-a]carbazole.
What is the SMILES notation for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]indolo[2,3-a]carbazole?
The canonical SMILES for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]indolo[2,3-a]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4ccc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7c65)cc43)n2)cc1.
What is the InChIKey of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]indolo[2,3-a]carbazole?
The InChIKey is WGVHPUQRCUFTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H44N8/c1-5-21-45(22-6-1)67-74-68(46-23-7-2-8-24-46)76-71(75-67)49-37-39-53-51-29-13-17-33-59(51)73(61(53)43-49)60-34-18-14-30-52(60)54-40-38-50(44-62(54)73)80-63-35-19-15-31-55(63)57-41-42-58-56-32-16-20-36-64(56)81(66(58)65(57)80)72-78-69(47-25-9-3-10-26-47)77-70(79-72)48-27-11-4-12-28-48/h1-44H.
What are the key properties of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]indolo[2,3-a]carbazole?
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]indolo[2,3-a]carbazole has a molecular weight of 1033.21 g/mol, XLogP of 16.93, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]indolo[2,3-a]carbazole is sourced from PubChem (CID 88886979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).