3-[9-[4-(7'-fluoro-9,9'-spirobi[fluorene]-2'-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole

C64H38FN5 — CID 121276689

IUPAC3-[9-[4-(7'-fluoro-9,9'-spirobi[fluorene]-2'-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole
SMILESFc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)n3)ccc1-2
InChIInChI=1S/C64H38FN5/c65-43-30-33-48-47-31-28-42(36-55(47)64(56(48)38-43)53-23-11-7-19-45(53)46-20-8-12-24-54(46)64)62-66-61(39-15-3-1-4-16-39)67-63(68-62)70-58-26-14-9-21-49(58)51-32-27-41(37-60(51)70)40-29-34-59-52(35-40)50-22-10-13-25-57(50)69(59)44-17-5-2-6-18-44/h1-38H
InChIKeySZGTXWUEXZBNPB-UHFFFAOYSA-N
MW896.04 g/mol
LogP15.55
Rot. Bonds5

About 3-[9-[4-(7'-fluoro-9,9'-spirobi[fluorene]-2'-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole

3-[9-[4-(7'-fluoro-9,9'-spirobi[fluorene]-2'-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole (PubChem CID 121276689) has the molecular formula C64H38FN5 and a molecular weight of 896.04 g/mol. Its IUPAC name is 3-[9-[4-(7'-fluoro-9,9'-spirobi[fluorene]-2'-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-[4-(7'-fluoro-9,9'-spirobi[fluorene]-2'-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole
PubChem CID121276689
Molecular FormulaC64H38FN5
Molecular Weight896.04 g/mol
Exact Mass895.31
IUPAC Name3-[9-[4-(7'-fluoro-9,9'-spirobi[fluorene]-2'-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole
SMILESFc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)n3)ccc1-2
InChIInChI=1S/C64H38FN5/c65-43-30-33-48-47-31-28-42(36-55(47)64(56(48)38-43)53-23-11-7-19-45(53)46-20-8-12-24-54(46)64)62-66-61(39-15-3-1-4-16-39)67-63(68-62)70-58-26-14-9-21-49(58)51-32-27-41(37-60(51)70)40-29-34-59-52(35-40)50-22-10-13-25-57(50)69(59)44-17-5-2-6-18-44/h1-38H
InChIKeySZGTXWUEXZBNPB-UHFFFAOYSA-N
XLogP15.55
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500896.04
LogP ≤ 515.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[9-[4-(7'-fluoro-9,9'-spirobi[fluorene]-2'-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-[4-(7'-fluoro-9,9'-spirobi[fluorene]-2'-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole (CID 121276689) is 3-[9-[4-(7'-fluoro-9,9'-spirobi[fluorene]-2'-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-[4-(7'-fluoro-9,9'-spirobi[fluorene]-2'-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-[4-(7'-fluoro-9,9'-spirobi[fluorene]-2'-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole is Fc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)n3)ccc1-2.
What is the InChIKey of 3-[9-[4-(7'-fluoro-9,9'-spirobi[fluorene]-2'-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole?
The InChIKey is SZGTXWUEXZBNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H38FN5/c65-43-30-33-48-47-31-28-42(36-55(47)64(56(48)38-43)53-23-11-7-19-45(53)46-20-8-12-24-54(46)64)62-66-61(39-15-3-1-4-16-39)67-63(68-62)70-58-26-14-9-21-49(58)51-32-27-41(37-60(51)70)40-29-34-59-52(35-40)50-22-10-13-25-57(50)69(59)44-17-5-2-6-18-44/h1-38H.
What are the key properties of 3-[9-[4-(7'-fluoro-9,9'-spirobi[fluorene]-2'-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole?
3-[9-[4-(7'-fluoro-9,9'-spirobi[fluorene]-2'-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole has a molecular weight of 896.04 g/mol, XLogP of 15.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[4-(7'-fluoro-9,9'-spirobi[fluorene]-2'-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 121276689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).