9-[3-[2-(9H-fluoren-3-yl)-5-phenyl-1,2,4-triazol-3-yl]phenyl]carbazole

C39H26N4 — CID 58037492

IUPAC9-[3-[2-(9H-fluoren-3-yl)-5-phenyl-1,2,4-triazol-3-yl]phenyl]carbazole
SMILESc1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n(-c3ccc4c(c3)-c3ccccc3C4)n2)cc1
InChIInChI=1S/C39H26N4/c1-2-11-26(12-3-1)38-40-39(43(41-38)31-22-21-28-23-27-13-4-5-16-32(27)35(28)25-31)29-14-10-15-30(24-29)42-36-19-8-6-17-33(36)34-18-7-9-20-37(34)42/h1-22,24-25H,23H2
InChIKeyDAFCVPPXPNCYQQ-UHFFFAOYSA-N
MW550.67 g/mol
LogP9.27
Rot. Bonds4

About 9-[3-[2-(9H-fluoren-3-yl)-5-phenyl-1,2,4-triazol-3-yl]phenyl]carbazole

9-[3-[2-(9H-fluoren-3-yl)-5-phenyl-1,2,4-triazol-3-yl]phenyl]carbazole (PubChem CID 58037492) has the molecular formula C39H26N4 and a molecular weight of 550.67 g/mol. Its IUPAC name is 9-[3-[2-(9H-fluoren-3-yl)-5-phenyl-1,2,4-triazol-3-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-[2-(9H-fluoren-3-yl)-5-phenyl-1,2,4-triazol-3-yl]phenyl]carbazole
PubChem CID58037492
Molecular FormulaC39H26N4
Molecular Weight550.67 g/mol
Exact Mass550.22
IUPAC Name9-[3-[2-(9H-fluoren-3-yl)-5-phenyl-1,2,4-triazol-3-yl]phenyl]carbazole
SMILESc1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n(-c3ccc4c(c3)-c3ccccc3C4)n2)cc1
InChIInChI=1S/C39H26N4/c1-2-11-26(12-3-1)38-40-39(43(41-38)31-22-21-28-23-27-13-4-5-16-32(27)35(28)25-31)29-14-10-15-30(24-29)42-36-19-8-6-17-33(36)34-18-7-9-20-37(34)42/h1-22,24-25H,23H2
InChIKeyDAFCVPPXPNCYQQ-UHFFFAOYSA-N
XLogP9.27
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.67
LogP ≤ 59.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[3-[5-(3-carbazol-9-ylphenyl)-1-(9H-fluoren-3-yl)-1,2,4-triazol-3-yl]phenyl]carbazole;1-[8-[8-(3,5-diphenyl-1,2,4-triazol-1-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]-3,5-diphenyl-1,2,4-triazole;1-[6-(3,5-diphenyl-1,2,4-triazol-1-yl)-9H-fluoren-3-yl]-3,5-diphenyl-1,2,4-triazole;1-(9H-fluoren-3-yl)-3,5-diphenyl-1,2,4-triazole;9-[3-[2-(9H-fluoren-3-yl)-5-phenyl-1,2,4-triazol-3-yl]phenyl]carbazole
CID 159344789
1-(9H-fluoren-3-yl)-3,5-diphenyl-1,2,4-triazole
CID 58037472
9-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-3-yl]carbazole
CID 146335978
9-(3-carbazol-9-ylphenyl)-3-(2,5-diphenyl-1,2,4-triazol-3-yl)carbazole
CID 121241285
3-carbazol-9-yl-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-3-yl]carbazole
CID 159941537
9-(6-carbazol-9-yl-9H-fluoren-3-yl)carbazole
CID 59464809
9-[4-[2-[2-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 59501295
9-[6-(2-phenylimidazol-1-yl)-9H-fluoren-3-yl]carbazole
CID 58037505
9-[4-[3,5-bis(4-phenylphenyl)-1,2,4-triazol-1-yl]phenyl]carbazole
CID 59500053
3-(9H-fluoren-4-yl)-9-[3-[4-[3-[3-(9H-fluoren-4-yl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 162137186
11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-2-yl]-5-phenylindolo[3,2-b]carbazole
CID 170280570
9-[3-[1-(3-carbazol-9-ylphenyl)-9H-fluoren-3-yl]phenyl]carbazole
CID 145060053

Frequently Asked Questions

What is the IUPAC name of 9-[3-[2-(9H-fluoren-3-yl)-5-phenyl-1,2,4-triazol-3-yl]phenyl]carbazole?
The IUPAC name of 9-[3-[2-(9H-fluoren-3-yl)-5-phenyl-1,2,4-triazol-3-yl]phenyl]carbazole (CID 58037492) is 9-[3-[2-(9H-fluoren-3-yl)-5-phenyl-1,2,4-triazol-3-yl]phenyl]carbazole.
What is the SMILES notation for 9-[3-[2-(9H-fluoren-3-yl)-5-phenyl-1,2,4-triazol-3-yl]phenyl]carbazole?
The canonical SMILES for 9-[3-[2-(9H-fluoren-3-yl)-5-phenyl-1,2,4-triazol-3-yl]phenyl]carbazole is c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n(-c3ccc4c(c3)-c3ccccc3C4)n2)cc1.
What is the InChIKey of 9-[3-[2-(9H-fluoren-3-yl)-5-phenyl-1,2,4-triazol-3-yl]phenyl]carbazole?
The InChIKey is DAFCVPPXPNCYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26N4/c1-2-11-26(12-3-1)38-40-39(43(41-38)31-22-21-28-23-27-13-4-5-16-32(27)35(28)25-31)29-14-10-15-30(24-29)42-36-19-8-6-17-33(36)34-18-7-9-20-37(34)42/h1-22,24-25H,23H2.
What are the key properties of 9-[3-[2-(9H-fluoren-3-yl)-5-phenyl-1,2,4-triazol-3-yl]phenyl]carbazole?
9-[3-[2-(9H-fluoren-3-yl)-5-phenyl-1,2,4-triazol-3-yl]phenyl]carbazole has a molecular weight of 550.67 g/mol, XLogP of 9.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[2-(9H-fluoren-3-yl)-5-phenyl-1,2,4-triazol-3-yl]phenyl]carbazole is sourced from PubChem (CID 58037492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).