9-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene]

C46H28N4 — CID 122627210

IUPAC9-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene]
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccc5c([nH]c6ccccc65)c3-4)n2)cc1
InChIInChI=1S/C46H28N4/c1-3-13-28(14-4-1)43-48-44(29-15-5-2-6-16-29)50-45(49-43)30-23-24-35-39(27-30)46(36-20-10-7-17-31(36)32-18-8-11-21-37(32)46)38-26-25-34-33-19-9-12-22-40(33)47-42(34)41(35)38/h1-27,47H
InChIKeyLKHGPFQJMILEQR-UHFFFAOYSA-N
MW636.76 g/mol
LogP10.85
Rot. Bonds3

About 9-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene]

9-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene] (PubChem CID 122627210) has the molecular formula C46H28N4 and a molecular weight of 636.76 g/mol. Its IUPAC name is 9-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene].

Molecular Properties

Compound Name9-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene]
PubChem CID122627210
Molecular FormulaC46H28N4
Molecular Weight636.76 g/mol
Exact Mass636.23
IUPAC Name9-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene]
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccc5c([nH]c6ccccc65)c3-4)n2)cc1
InChIInChI=1S/C46H28N4/c1-3-13-28(14-4-1)43-48-44(29-15-5-2-6-16-29)50-45(49-43)30-23-24-35-39(27-30)46(36-20-10-7-17-31(36)32-18-8-11-21-37(32)46)38-26-25-34-33-19-9-12-22-40(33)47-42(34)41(35)38/h1-27,47H
InChIKeyLKHGPFQJMILEQR-UHFFFAOYSA-N
XLogP10.85
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.76
LogP ≤ 510.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(7R)-2'-phenylspiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene]
CID 144648667
3-phenylspiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene]
CID 90253684
3-spiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene]-4'-ylspiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene]
CID 123191877
2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-yl-1,3,5-triazine
CID 146778446
2-phenyl-4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 129150894
2,4-diphenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 118426846
2,4-bis(3-phenylphenyl)-6-spiro[benzo[c]fluorene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-1,3,5-triazine
CID 134574249
2-[3-(3-phenylphenyl)phenyl]-4-[4-(3-phenylphenyl)phenyl]-6-[3-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167230102
2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-4-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-6-[4-[3-[3-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167230238
2,4-bis(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2-phenyl-4-[3-(4-phenylphenyl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 161036393
2-[3-(3-phenylphenyl)phenyl]-4-[4-[3-(3-phenylphenyl)phenyl]phenyl]-6-[3-[3-[3-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167230309
2-[4-(3-phenylphenyl)phenyl]-4-[3-[3-(3-phenylphenyl)phenyl]phenyl]-6-[4-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167230136

Frequently Asked Questions

What is the IUPAC name of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene]?
The IUPAC name of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene] (CID 122627210) is 9-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene].
What is the SMILES notation for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene]?
The canonical SMILES for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene] is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccc5c([nH]c6ccccc65)c3-4)n2)cc1.
What is the InChIKey of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene]?
The InChIKey is LKHGPFQJMILEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N4/c1-3-13-28(14-4-1)43-48-44(29-15-5-2-6-16-29)50-45(49-43)30-23-24-35-39(27-30)46(36-20-10-7-17-31(36)32-18-8-11-21-37(32)46)38-26-25-34-33-19-9-12-22-40(33)47-42(34)41(35)38/h1-27,47H.
What are the key properties of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene]?
9-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene] has a molecular weight of 636.76 g/mol, XLogP of 10.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene] is sourced from PubChem (CID 122627210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).