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

C43H26N4 — CID 170109684

IUPAC9-[4-(4-fluoranthen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(-c3cc4c5c(cccc5c3)-c3ccccc3-4)n2)cc1
InChIInChI=1S/C43H26N4/c1-2-11-27(12-3-1)41-44-42(28-21-23-31(24-22-28)47-38-19-8-6-16-34(38)35-17-7-9-20-39(35)47)46-43(45-41)30-25-29-13-10-18-36-32-14-4-5-15-33(32)37(26-30)40(29)36/h1-26H
InChIKeyUFCTXCWFXAOCLJ-UHFFFAOYSA-N
MW598.71 g/mol
LogP10.77
Rot. Bonds4

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

9-[4-(4-fluoranthen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole (PubChem CID 170109684) has the molecular formula C43H26N4 and a molecular weight of 598.71 g/mol. Its IUPAC name is 9-[4-(4-fluoranthen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[4-(4-fluoranthen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
PubChem CID170109684
Molecular FormulaC43H26N4
Molecular Weight598.71 g/mol
Exact Mass598.22
IUPAC Name9-[4-(4-fluoranthen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(-c3cc4c5c(cccc5c3)-c3ccccc3-4)n2)cc1
InChIInChI=1S/C43H26N4/c1-2-11-27(12-3-1)41-44-42(28-21-23-31(24-22-28)47-38-19-8-6-16-34(38)35-17-7-9-20-39(35)47)46-43(45-41)30-25-29-13-10-18-36-32-14-4-5-15-33(32)37(26-30)40(29)36/h1-26H
InChIKeyUFCTXCWFXAOCLJ-UHFFFAOYSA-N
XLogP10.77
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.71
LogP ≤ 510.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaene
CID 118301005
5-[2-(4-fluoranthen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 170109616
9-[4-[4-naphthalen-2-yl-6-[3-(8-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177283094
3-(9-fluoranthen-2-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 130295225
9-[7-carbazol-9-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)tetraphenylen-2-yl]carbazole
CID 119078686
5-[4-[4-[4,6-bis(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[b]carbazole;5-[4-[4-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[b]carbazole
CID 162025172
9-[4-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole
CID 59779621
9-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 122425259
9-[4-[4-[4-phenyl-6-(5-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]carbazole
CID 176632540
9-[4-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 23527808
2,4-diphenyl-6-(9-phenylfluoranthen-2-yl)-1,3,5-triazine
CID 155404604
9-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155156244

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4-fluoranthen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The IUPAC name of 9-[4-(4-fluoranthen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole (CID 170109684) is 9-[4-(4-fluoranthen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole.
What is the SMILES notation for 9-[4-(4-fluoranthen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The canonical SMILES for 9-[4-(4-fluoranthen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole is c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(-c3cc4c5c(cccc5c3)-c3ccccc3-4)n2)cc1.
What is the InChIKey of 9-[4-(4-fluoranthen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The InChIKey is UFCTXCWFXAOCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N4/c1-2-11-27(12-3-1)41-44-42(28-21-23-31(24-22-28)47-38-19-8-6-16-34(38)35-17-7-9-20-39(35)47)46-43(45-41)30-25-29-13-10-18-36-32-14-4-5-15-33(32)37(26-30)40(29)36/h1-26H.
What are the key properties of 9-[4-(4-fluoranthen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
9-[4-(4-fluoranthen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole has a molecular weight of 598.71 g/mol, XLogP of 10.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4-fluoranthen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole is sourced from PubChem (CID 170109684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).