2,4-bis(4-tert-butylphenyl)-6-[3-[1-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-1,3,5-triazine

C61H49N3 — CID 168756347

IUPAC2,4-bis(4-tert-butylphenyl)-6-[3-[1-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-1,3,5-triazine
SMILESCC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3cccc(-c4ccc5ccccc5c4-c4ccc(-c5ccc6c7c(cccc57)-c5ccccc5-6)cc4)c3)n2)cc1
InChIInChI=1S/C61H49N3/c1-60(2,3)45-30-25-41(26-31-45)57-62-58(42-27-32-46(33-28-42)61(4,5)6)64-59(63-57)44-15-11-14-43(37-44)49-34-29-38-13-7-8-16-48(38)55(49)40-23-21-39(22-24-40)47-35-36-54-51-18-10-9-17-50(51)53-20-12-19-52(47)56(53)54/h7-37H,1-6H3
InChIKeyPUKNJSRTFDIBOQ-UHFFFAOYSA-N
MW824.08 g/mol
LogP16.42
Rot. Bonds6

About 2,4-bis(4-tert-butylphenyl)-6-[3-[1-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-1,3,5-triazine

2,4-bis(4-tert-butylphenyl)-6-[3-[1-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-1,3,5-triazine (PubChem CID 168756347) has the molecular formula C61H49N3 and a molecular weight of 824.08 g/mol. Its IUPAC name is 2,4-bis(4-tert-butylphenyl)-6-[3-[1-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(4-tert-butylphenyl)-6-[3-[1-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-1,3,5-triazine
PubChem CID168756347
Molecular FormulaC61H49N3
Molecular Weight824.08 g/mol
Exact Mass823.39
IUPAC Name2,4-bis(4-tert-butylphenyl)-6-[3-[1-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-1,3,5-triazine
SMILESCC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3cccc(-c4ccc5ccccc5c4-c4ccc(-c5ccc6c7c(cccc57)-c5ccccc5-6)cc4)c3)n2)cc1
InChIInChI=1S/C61H49N3/c1-60(2,3)45-30-25-41(26-31-45)57-62-58(42-27-32-46(33-28-42)61(4,5)6)64-59(63-57)44-15-11-14-43(37-44)49-34-29-38-13-7-8-16-48(38)55(49)40-23-21-39(22-24-40)47-35-36-54-51-18-10-9-17-50(51)53-20-12-19-52(47)56(53)54/h7-37H,1-6H3
InChIKeyPUKNJSRTFDIBOQ-UHFFFAOYSA-N
XLogP16.42
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500824.08
LogP ≤ 516.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[1-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 168756345
2-[3-[2-(4-fluoranthen-3-ylphenyl)naphthalen-1-yl]phenyl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 168756351
2-[4-[2-(4-fluoranthen-3-ylphenyl)naphthalen-1-yl]phenyl]-4,6-diphenylpyrimidine
CID 168756353
2-[4-[2-(3-fluoranthen-8-ylphenyl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 168756531
1,2-bis(4-tert-butylphenyl)naphthalene
CID 163894539
4-[4-[2-[4-(3-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]benzonitrile
CID 166868486
4-[4-[1-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine
CID 168756476
2-[4-[2-(4-fluoranthen-8-ylphenyl)naphthalen-1-yl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 168756397
2,4-dinaphthalen-2-yl-6-[6-(1-phenylnaphthalen-2-yl)naphthalen-2-yl]-1,3,5-triazine;2,4-dinaphthalen-2-yl-6-[6-(8-phenylnaphthalen-2-yl)naphthalen-2-yl]-1,3,5-triazine
CID 165058520
2,4-bis(4-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazine
CID 59779624
2-[4-[2-[4-(3-naphthalen-1-ylphenyl)phenyl]propan-2-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[4-[2-(4-naphthalen-1-ylphenyl)propan-2-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[4-[2-(4-naphthalen-2-ylphenyl)propan-2-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-[2-[4-(3-phenylphenyl)phenyl]propan-2-yl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-[2-[4-(4-phenylphenyl)phenyl]propan-2-yl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-[2-(4-phenylphenyl)propan-2-yl]phenyl]-1,3,5-triazine
CID 158095916
2,4-diphenyl-6-[4-[2-(4-phenylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 155105161

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-tert-butylphenyl)-6-[3-[1-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-1,3,5-triazine?
The IUPAC name of 2,4-bis(4-tert-butylphenyl)-6-[3-[1-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-1,3,5-triazine (CID 168756347) is 2,4-bis(4-tert-butylphenyl)-6-[3-[1-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(4-tert-butylphenyl)-6-[3-[1-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4-bis(4-tert-butylphenyl)-6-[3-[1-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-1,3,5-triazine is CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3cccc(-c4ccc5ccccc5c4-c4ccc(-c5ccc6c7c(cccc57)-c5ccccc5-6)cc4)c3)n2)cc1.
What is the InChIKey of 2,4-bis(4-tert-butylphenyl)-6-[3-[1-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-1,3,5-triazine?
The InChIKey is PUKNJSRTFDIBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H49N3/c1-60(2,3)45-30-25-41(26-31-45)57-62-58(42-27-32-46(33-28-42)61(4,5)6)64-59(63-57)44-15-11-14-43(37-44)49-34-29-38-13-7-8-16-48(38)55(49)40-23-21-39(22-24-40)47-35-36-54-51-18-10-9-17-50(51)53-20-12-19-52(47)56(53)54/h7-37H,1-6H3.
What are the key properties of 2,4-bis(4-tert-butylphenyl)-6-[3-[1-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-1,3,5-triazine?
2,4-bis(4-tert-butylphenyl)-6-[3-[1-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-1,3,5-triazine has a molecular weight of 824.08 g/mol, XLogP of 16.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-tert-butylphenyl)-6-[3-[1-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 168756347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).