9-[2-(4-fluoranthen-8-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole

C47H28N4 — CID 170109738

IUPAC9-[2-(4-fluoranthen-8-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccccc32)c(-c2nc(-c3ccc4c(c3)-c3cccc5cccc-4c35)nc(-c3ccc4ccccc4c3)n2)c1
InChIInChI=1S/C47H28N4/c1-2-12-31-27-32(24-23-29(31)11-1)45-48-46(33-25-26-34-37-18-9-13-30-14-10-19-38(44(30)37)40(34)28-33)50-47(49-45)39-17-5-8-22-43(39)51-41-20-6-3-15-35(41)36-16-4-7-21-42(36)51/h1-28H
InChIKeyGLTZKVCAHXTOKT-UHFFFAOYSA-N
MW648.77 g/mol
LogP11.92
Rot. Bonds4

About 9-[2-(4-fluoranthen-8-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole

9-[2-(4-fluoranthen-8-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole (PubChem CID 170109738) has the molecular formula C47H28N4 and a molecular weight of 648.77 g/mol. Its IUPAC name is 9-[2-(4-fluoranthen-8-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[2-(4-fluoranthen-8-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole
PubChem CID170109738
Molecular FormulaC47H28N4
Molecular Weight648.77 g/mol
Exact Mass648.23
IUPAC Name9-[2-(4-fluoranthen-8-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccccc32)c(-c2nc(-c3ccc4c(c3)-c3cccc5cccc-4c35)nc(-c3ccc4ccccc4c3)n2)c1
InChIInChI=1S/C47H28N4/c1-2-12-31-27-32(24-23-29(31)11-1)45-48-46(33-25-26-34-37-18-9-13-30-14-10-19-38(44(30)37)40(34)28-33)50-47(49-45)39-17-5-8-22-43(39)51-41-20-6-3-15-35(41)36-16-4-7-21-42(36)51/h1-28H
InChIKeyGLTZKVCAHXTOKT-UHFFFAOYSA-N
XLogP11.92
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.77
LogP ≤ 511.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[5-(4-fluoranthen-8-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]carbazole
CID 170109697
5-[2-(4-fluoranthen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 170109616
5-[2-dibenzofuran-1-yl-4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 155474903
23-[2-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene
CID 166054600
9-[2-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)phenyl]carbazole
CID 170658935
3-benzo[b]carbazol-5-yl-5-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 155477338
9-[2-[4-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaen-6-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 163948127
9-[2-[4-naphthalen-2-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 170658932
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
CID 121386013
9-[2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-naphthalen-2-ylphenyl]carbazole
CID 170659106
9-[2-[4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 170658615
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 163989283

Frequently Asked Questions

What is the IUPAC name of 9-[2-(4-fluoranthen-8-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole?
The IUPAC name of 9-[2-(4-fluoranthen-8-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole (CID 170109738) is 9-[2-(4-fluoranthen-8-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole.
What is the SMILES notation for 9-[2-(4-fluoranthen-8-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole?
The canonical SMILES for 9-[2-(4-fluoranthen-8-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole is c1ccc(-n2c3ccccc3c3ccccc32)c(-c2nc(-c3ccc4c(c3)-c3cccc5cccc-4c35)nc(-c3ccc4ccccc4c3)n2)c1.
What is the InChIKey of 9-[2-(4-fluoranthen-8-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole?
The InChIKey is GLTZKVCAHXTOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28N4/c1-2-12-31-27-32(24-23-29(31)11-1)45-48-46(33-25-26-34-37-18-9-13-30-14-10-19-38(44(30)37)40(34)28-33)50-47(49-45)39-17-5-8-22-43(39)51-41-20-6-3-15-35(41)36-16-4-7-21-42(36)51/h1-28H.
What are the key properties of 9-[2-(4-fluoranthen-8-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole?
9-[2-(4-fluoranthen-8-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole has a molecular weight of 648.77 g/mol, XLogP of 11.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(4-fluoranthen-8-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole is sourced from PubChem (CID 170109738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).