2',5'-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]

C67H41N7O — CID 130288851

IUPAC2',5'-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5-c5cc6c7ccccc7n(-c7ccccc7)c6cc53)c3cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c3O4)n2)cc1
InChIInChI=1S/C67H41N7O/c1-6-21-42(22-7-1)61-68-62(43-23-8-2-9-24-43)71-65(70-61)46-37-38-59-56(39-46)67(54-35-20-33-50(60(54)75-59)66-72-63(44-25-10-3-11-26-44)69-64(73-66)45-27-12-4-13-28-45)53-34-18-16-31-48(53)51-40-52-49-32-17-19-36-57(49)74(58(52)41-55(51)67)47-29-14-5-15-30-47/h1-41H
InChIKeyAMMMJWZLRQSHFH-UHFFFAOYSA-N
MW960.11 g/mol
LogP15.62
Rot. Bonds7

About 2',5'-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]

2',5'-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene] (PubChem CID 130288851) has the molecular formula C67H41N7O and a molecular weight of 960.11 g/mol. Its IUPAC name is 2',5'-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene].

Molecular Properties

Compound Name2',5'-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]
PubChem CID130288851
Molecular FormulaC67H41N7O
Molecular Weight960.11 g/mol
Exact Mass959.34
IUPAC Name2',5'-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5-c5cc6c7ccccc7n(-c7ccccc7)c6cc53)c3cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c3O4)n2)cc1
InChIInChI=1S/C67H41N7O/c1-6-21-42(22-7-1)61-68-62(43-23-8-2-9-24-43)71-65(70-61)46-37-38-59-56(39-46)67(54-35-20-33-50(60(54)75-59)66-72-63(44-25-10-3-11-26-44)69-64(73-66)45-27-12-4-13-28-45)53-34-18-16-31-48(53)51-40-52-49-32-17-19-36-57(49)74(58(52)41-55(51)67)47-29-14-5-15-30-47/h1-41H
InChIKeyAMMMJWZLRQSHFH-UHFFFAOYSA-N
XLogP15.62
TPSA91.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500960.11
LogP ≤ 515.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2',5'-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene] with MolForge

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Related Compounds

9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 156559689
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 130288850
11'-(4,6-diphenyl-1,3,5-triazin-2-yl)-5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 156559628
9-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 139306362
9-phenyl-2-[4-phenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 149374093
7,7-dimethyl-5-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]indeno[2,1-b]carbazole
CID 139567879
5-[3-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 118880607
9-[4-[3-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 137388498
2-phenyl-9-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 166650803
2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazine
CID 160749645
2'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 90335732
9-phenyl-3-[7'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]carbazole
CID 167178048

Frequently Asked Questions

What is the IUPAC name of 2',5'-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]?
The IUPAC name of 2',5'-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene] (CID 130288851) is 2',5'-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene].
What is the SMILES notation for 2',5'-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]?
The canonical SMILES for 2',5'-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene] is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5-c5cc6c7ccccc7n(-c7ccccc7)c6cc53)c3cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c3O4)n2)cc1.
What is the InChIKey of 2',5'-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]?
The InChIKey is AMMMJWZLRQSHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H41N7O/c1-6-21-42(22-7-1)61-68-62(43-23-8-2-9-24-43)71-65(70-61)46-37-38-59-56(39-46)67(54-35-20-33-50(60(54)75-59)66-72-63(44-25-10-3-11-26-44)69-64(73-66)45-27-12-4-13-28-45)53-34-18-16-31-48(53)51-40-52-49-32-17-19-36-57(49)74(58(52)41-55(51)67)47-29-14-5-15-30-47/h1-41H.
What are the key properties of 2',5'-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]?
2',5'-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene] has a molecular weight of 960.11 g/mol, XLogP of 15.62, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2',5'-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene] is sourced from PubChem (CID 130288851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).