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

C54H36FN5 — CID 121276685

IUPAC3-[9-[4-(7-fluoro-9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole
SMILESCC1(C)c2cc(F)ccc2-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)n3)cc21
InChIInChI=1S/C54H36FN5/c1-54(2)45-30-36(22-25-39(45)40-27-24-37(55)32-46(40)54)52-56-51(33-13-5-3-6-14-33)57-53(58-52)60-48-20-12-9-17-41(48)43-26-21-35(31-50(43)60)34-23-28-49-44(29-34)42-18-10-11-19-47(42)59(49)38-15-7-4-8-16-38/h3-32H,1-2H3
InChIKeyQFVVJBPONYUFCO-UHFFFAOYSA-N
MW773.92 g/mol
LogP13.51
Rot. Bonds5

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

3-[9-[4-(7-fluoro-9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole (PubChem CID 121276685) has the molecular formula C54H36FN5 and a molecular weight of 773.92 g/mol. Its IUPAC name is 3-[9-[4-(7-fluoro-9,9-dimethylfluoren-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-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole
PubChem CID121276685
Molecular FormulaC54H36FN5
Molecular Weight773.92 g/mol
Exact Mass773.30
IUPAC Name3-[9-[4-(7-fluoro-9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole
SMILESCC1(C)c2cc(F)ccc2-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)n3)cc21
InChIInChI=1S/C54H36FN5/c1-54(2)45-30-36(22-25-39(45)40-27-24-37(55)32-46(40)54)52-56-51(33-13-5-3-6-14-33)57-53(58-52)60-48-20-12-9-17-41(48)43-26-21-35(31-50(43)60)34-23-28-49-44(29-34)42-18-10-11-19-47(42)59(49)38-15-7-4-8-16-38/h3-32H,1-2H3
InChIKeyQFVVJBPONYUFCO-UHFFFAOYSA-N
XLogP13.51
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.92
LogP ≤ 513.51
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-dimethylfluoren-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-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole (CID 121276685) is 3-[9-[4-(7-fluoro-9,9-dimethylfluoren-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-dimethylfluoren-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-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole is CC1(C)c2cc(F)ccc2-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)n3)cc21.
What is the InChIKey of 3-[9-[4-(7-fluoro-9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole?
The InChIKey is QFVVJBPONYUFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36FN5/c1-54(2)45-30-36(22-25-39(45)40-27-24-37(55)32-46(40)54)52-56-51(33-13-5-3-6-14-33)57-53(58-52)60-48-20-12-9-17-41(48)43-26-21-35(31-50(43)60)34-23-28-49-44(29-34)42-18-10-11-19-47(42)59(49)38-15-7-4-8-16-38/h3-32H,1-2H3.
What are the key properties of 3-[9-[4-(7-fluoro-9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole?
3-[9-[4-(7-fluoro-9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole has a molecular weight of 773.92 g/mol, XLogP of 13.51, 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-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 121276685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).