9-(3-phenylphenyl)-3-[12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[12H-indeno[2,1-a]fluorene-11,9'-fluorene]-3-yl]carbazole

C83H52N4 — CID 118613453

IUPAC9-(3-phenylphenyl)-3-[12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[12H-indeno[2,1-a]fluorene-11,9'-fluorene]-3-yl]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(C5c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7cccc(-c8ccccc8)c7)cc6-c6ccc7c(c65)C5(c6ccccc6-c6ccccc65)c5ccccc5-7)c4)n3)c2)cc1
InChIInChI=1S/C83H52N4/c1-4-21-52(22-5-1)55-27-18-30-60(47-55)81-84-80(54-25-8-3-9-26-54)85-82(86-81)61-31-19-29-59(48-61)77-67-43-41-57(58-42-46-76-71(51-58)66-36-13-17-40-75(66)87(76)62-32-20-28-56(49-62)53-23-6-2-7-24-53)50-70(67)68-44-45-69-65-35-12-16-39-74(65)83(79(69)78(68)77)72-37-14-10-33-63(72)64-34-11-15-38-73(64)83/h1-51,77H
InChIKeyZZAQIJLBUYQQHV-UHFFFAOYSA-N
MW1105.36 g/mol
LogP20.47
Rot. Bonds8

About 9-(3-phenylphenyl)-3-[12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[12H-indeno[2,1-a]fluorene-11,9'-fluorene]-3-yl]carbazole

9-(3-phenylphenyl)-3-[12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[12H-indeno[2,1-a]fluorene-11,9'-fluorene]-3-yl]carbazole (PubChem CID 118613453) has the molecular formula C83H52N4 and a molecular weight of 1105.36 g/mol. Its IUPAC name is 9-(3-phenylphenyl)-3-[12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[12H-indeno[2,1-a]fluorene-11,9'-fluorene]-3-yl]carbazole.

Molecular Properties

Compound Name9-(3-phenylphenyl)-3-[12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[12H-indeno[2,1-a]fluorene-11,9'-fluorene]-3-yl]carbazole
PubChem CID118613453
Molecular FormulaC83H52N4
Molecular Weight1105.36 g/mol
Exact Mass1104.42
IUPAC Name9-(3-phenylphenyl)-3-[12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[12H-indeno[2,1-a]fluorene-11,9'-fluorene]-3-yl]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(C5c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7cccc(-c8ccccc8)c7)cc6-c6ccc7c(c65)C5(c6ccccc6-c6ccccc65)c5ccccc5-7)c4)n3)c2)cc1
InChIInChI=1S/C83H52N4/c1-4-21-52(22-5-1)55-27-18-30-60(47-55)81-84-80(54-25-8-3-9-26-54)85-82(86-81)61-31-19-29-59(48-61)77-67-43-41-57(58-42-46-76-71(51-58)66-36-13-17-40-75(66)87(76)62-32-20-28-56(49-62)53-23-6-2-7-24-53)50-70(67)68-44-45-69-65-35-12-16-39-74(65)83(79(69)78(68)77)72-37-14-10-33-63(72)64-34-11-15-38-73(64)83/h1-51,77H
InChIKeyZZAQIJLBUYQQHV-UHFFFAOYSA-N
XLogP20.47
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001105.36
LogP ≤ 520.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-(3-phenylphenyl)-3-[12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[12H-indeno[2,1-a]fluorene-11,9'-fluorene]-3-yl]carbazole with MolForge

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Related Compounds

3-(9,9-dimethylfluoren-2-yl)-9-[3-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 134236852
9-[2'-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]-9,9'-spirobi[fluorene]-2-yl]-3-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-[7'-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]-9,9'-spirobi[fluorene]-2'-yl]-3-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 159219781
9-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]carbazole
CID 160549549
3-(9,9-dimethylfluoren-2-yl)-9-[3-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-(2,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 134236850
2-[4-(9,9-dimethylfluoren-2-yl)-6-[3-(3-phenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 137402190
3-(9-phenylcarbazol-3-yl)-9-[3-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 134236877
3-(3-carbazol-9-ylphenyl)-6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 58943700
3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 158317836
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 58511626
3-phenyl-9-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 174243912
9-[2-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2'-yl]carbazole
CID 88887022
3-[9-[3-(4-carbazol-9-ylphenyl)phenyl]-9H-fluoren-3-yl]-9-phenylcarbazole
CID 170060039

Frequently Asked Questions

What is the IUPAC name of 9-(3-phenylphenyl)-3-[12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[12H-indeno[2,1-a]fluorene-11,9'-fluorene]-3-yl]carbazole?
The IUPAC name of 9-(3-phenylphenyl)-3-[12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[12H-indeno[2,1-a]fluorene-11,9'-fluorene]-3-yl]carbazole (CID 118613453) is 9-(3-phenylphenyl)-3-[12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[12H-indeno[2,1-a]fluorene-11,9'-fluorene]-3-yl]carbazole.
What is the SMILES notation for 9-(3-phenylphenyl)-3-[12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[12H-indeno[2,1-a]fluorene-11,9'-fluorene]-3-yl]carbazole?
The canonical SMILES for 9-(3-phenylphenyl)-3-[12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[12H-indeno[2,1-a]fluorene-11,9'-fluorene]-3-yl]carbazole is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(C5c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7cccc(-c8ccccc8)c7)cc6-c6ccc7c(c65)C5(c6ccccc6-c6ccccc65)c5ccccc5-7)c4)n3)c2)cc1.
What is the InChIKey of 9-(3-phenylphenyl)-3-[12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[12H-indeno[2,1-a]fluorene-11,9'-fluorene]-3-yl]carbazole?
The InChIKey is ZZAQIJLBUYQQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H52N4/c1-4-21-52(22-5-1)55-27-18-30-60(47-55)81-84-80(54-25-8-3-9-26-54)85-82(86-81)61-31-19-29-59(48-61)77-67-43-41-57(58-42-46-76-71(51-58)66-36-13-17-40-75(66)87(76)62-32-20-28-56(49-62)53-23-6-2-7-24-53)50-70(67)68-44-45-69-65-35-12-16-39-74(65)83(79(69)78(68)77)72-37-14-10-33-63(72)64-34-11-15-38-73(64)83/h1-51,77H.
What are the key properties of 9-(3-phenylphenyl)-3-[12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[12H-indeno[2,1-a]fluorene-11,9'-fluorene]-3-yl]carbazole?
9-(3-phenylphenyl)-3-[12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[12H-indeno[2,1-a]fluorene-11,9'-fluorene]-3-yl]carbazole has a molecular weight of 1105.36 g/mol, XLogP of 20.47, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-phenylphenyl)-3-[12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[12H-indeno[2,1-a]fluorene-11,9'-fluorene]-3-yl]carbazole is sourced from PubChem (CID 118613453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).