9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-fluoro-2-(9-phenylcarbazol-3-yl)carbazole

C51H32FN5 — CID 58511327

IUPAC9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-fluoro-2-(9-phenylcarbazol-3-yl)carbazole
SMILESFc1ccc2c(c1)c1ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C51H32FN5/c52-38-24-29-47-44(32-38)42-27-22-37(36-23-28-46-43(30-36)41-18-10-11-19-45(41)56(46)39-16-8-3-9-17-39)31-48(42)57(47)40-25-20-35(21-26-40)51-54-49(33-12-4-1-5-13-33)53-50(55-51)34-14-6-2-7-15-34/h1-32H
InChIKeySBRSRHKYMVHNNO-UHFFFAOYSA-N
MW733.85 g/mol
LogP12.87
Rot. Bonds6

About 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-fluoro-2-(9-phenylcarbazol-3-yl)carbazole

9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-fluoro-2-(9-phenylcarbazol-3-yl)carbazole (PubChem CID 58511327) has the molecular formula C51H32FN5 and a molecular weight of 733.85 g/mol. Its IUPAC name is 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-fluoro-2-(9-phenylcarbazol-3-yl)carbazole.

Molecular Properties

Compound Name9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-fluoro-2-(9-phenylcarbazol-3-yl)carbazole
PubChem CID58511327
Molecular FormulaC51H32FN5
Molecular Weight733.85 g/mol
Exact Mass733.26
IUPAC Name9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-fluoro-2-(9-phenylcarbazol-3-yl)carbazole
SMILESFc1ccc2c(c1)c1ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C51H32FN5/c52-38-24-29-47-44(32-38)42-27-22-37(36-23-28-46-43(30-36)41-18-10-11-19-45(41)56(46)39-16-8-3-9-17-39)31-48(42)57(47)40-25-20-35(21-26-40)51-54-49(33-12-4-1-5-13-33)53-50(55-51)34-14-6-2-7-15-34/h1-32H
InChIKeySBRSRHKYMVHNNO-UHFFFAOYSA-N
XLogP12.87
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.85
LogP ≤ 512.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-fluoro-2-(9-phenylcarbazol-3-yl)carbazole?
The IUPAC name of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-fluoro-2-(9-phenylcarbazol-3-yl)carbazole (CID 58511327) is 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-fluoro-2-(9-phenylcarbazol-3-yl)carbazole.
What is the SMILES notation for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-fluoro-2-(9-phenylcarbazol-3-yl)carbazole?
The canonical SMILES for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-fluoro-2-(9-phenylcarbazol-3-yl)carbazole is Fc1ccc2c(c1)c1ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-fluoro-2-(9-phenylcarbazol-3-yl)carbazole?
The InChIKey is SBRSRHKYMVHNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32FN5/c52-38-24-29-47-44(32-38)42-27-22-37(36-23-28-46-43(30-36)41-18-10-11-19-45(41)56(46)39-16-8-3-9-17-39)31-48(42)57(47)40-25-20-35(21-26-40)51-54-49(33-12-4-1-5-13-33)53-50(55-51)34-14-6-2-7-15-34/h1-32H.
What are the key properties of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-fluoro-2-(9-phenylcarbazol-3-yl)carbazole?
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-fluoro-2-(9-phenylcarbazol-3-yl)carbazole has a molecular weight of 733.85 g/mol, XLogP of 12.87, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-fluoro-2-(9-phenylcarbazol-3-yl)carbazole is sourced from PubChem (CID 58511327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).