2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphthalen-1-yl-6-(4-pyrimidin-5-ylphenyl)-1,3,5-triazine

C61H35N5 — CID 153466253

IUPAC2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphthalen-1-yl-6-(4-pyrimidin-5-ylphenyl)-1,3,5-triazine
SMILESc1ccc2c(c1)-c1cccc3c(-c4cc(-c5nc(-c6ccc(-c7cncnc7)cc6)nc(-c6cccc7ccccc67)n5)cc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c4)ccc-2c13
InChIInChI=1S/C61H35N5/c1-2-12-43-37(10-1)11-7-21-56(43)61-65-59(38-24-22-36(23-25-38)42-33-62-35-63-34-42)64-60(66-61)41-31-39(44-26-28-54-48-15-5-3-13-46(48)52-19-8-17-50(44)57(52)54)30-40(32-41)45-27-29-55-49-16-6-4-14-47(49)53-20-9-18-51(45)58(53)55/h1-35H
InChIKeyAYYNOBAYJGHSTK-UHFFFAOYSA-N
MW837.99 g/mol
LogP15.42
Rot. Bonds6

About 2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphthalen-1-yl-6-(4-pyrimidin-5-ylphenyl)-1,3,5-triazine

2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphthalen-1-yl-6-(4-pyrimidin-5-ylphenyl)-1,3,5-triazine (PubChem CID 153466253) has the molecular formula C61H35N5 and a molecular weight of 837.99 g/mol. Its IUPAC name is 2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphthalen-1-yl-6-(4-pyrimidin-5-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphthalen-1-yl-6-(4-pyrimidin-5-ylphenyl)-1,3,5-triazine
PubChem CID153466253
Molecular FormulaC61H35N5
Molecular Weight837.99 g/mol
Exact Mass837.29
IUPAC Name2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphthalen-1-yl-6-(4-pyrimidin-5-ylphenyl)-1,3,5-triazine
SMILESc1ccc2c(c1)-c1cccc3c(-c4cc(-c5nc(-c6ccc(-c7cncnc7)cc6)nc(-c6cccc7ccccc67)n5)cc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c4)ccc-2c13
InChIInChI=1S/C61H35N5/c1-2-12-43-37(10-1)11-7-21-56(43)61-65-59(38-24-22-36(23-25-38)42-33-62-35-63-34-42)64-60(66-61)41-31-39(44-26-28-54-48-15-5-3-13-46(48)52-19-8-17-50(44)57(52)54)30-40(32-41)45-27-29-55-49-16-6-4-14-47(49)53-20-9-18-51(45)58(53)55/h1-35H
InChIKeyAYYNOBAYJGHSTK-UHFFFAOYSA-N
XLogP15.42
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500837.99
LogP ≤ 515.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphthalen-2-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 153466310
2-[3-(4-fluoranthen-3-ylphenyl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 168756537
5-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-isoquinolin-5-ylphenyl]isoquinoline
CID 118582355
2,4-bis(4-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazine
CID 59779624
2-[3,5-di(fluoranthen-3-yl)phenyl]-1,3,5-triazine
CID 144968008
2-(4-naphthalen-1-ylphenyl)-4-pyren-1-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 130264412
2-naphthalen-1-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 171592176
2,4,6-tris[3-(4-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazine;2,4,6-tris[4-(4-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazine
CID 158833777
2-naphthalen-1-yl-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 165054491
2,4-dinaphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-(3,5-diphenylphenyl)-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine;2-naphthalen-1-yl-4-naphthalen-2-yl-6-[4-(4-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazine;2-naphthalen-1-yl-4-naphthalen-2-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 165085308
2-(2,5-diphenylphenyl)-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 169297414
4-[4-[2-(4-fluoranthen-3-ylphenyl)-6-[3-[5-[4-(2-fluoranthen-3-yl-6-phenylpyrimidin-4-yl)phenyl]-2-pyridinyl]phenyl]pyrimidin-4-yl]phenyl]isoquinoline
CID 163859257

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphthalen-1-yl-6-(4-pyrimidin-5-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphthalen-1-yl-6-(4-pyrimidin-5-ylphenyl)-1,3,5-triazine (CID 153466253) is 2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphthalen-1-yl-6-(4-pyrimidin-5-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphthalen-1-yl-6-(4-pyrimidin-5-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphthalen-1-yl-6-(4-pyrimidin-5-ylphenyl)-1,3,5-triazine is c1ccc2c(c1)-c1cccc3c(-c4cc(-c5nc(-c6ccc(-c7cncnc7)cc6)nc(-c6cccc7ccccc67)n5)cc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c4)ccc-2c13.
What is the InChIKey of 2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphthalen-1-yl-6-(4-pyrimidin-5-ylphenyl)-1,3,5-triazine?
The InChIKey is AYYNOBAYJGHSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H35N5/c1-2-12-43-37(10-1)11-7-21-56(43)61-65-59(38-24-22-36(23-25-38)42-33-62-35-63-34-42)64-60(66-61)41-31-39(44-26-28-54-48-15-5-3-13-46(48)52-19-8-17-50(44)57(52)54)30-40(32-41)45-27-29-55-49-16-6-4-14-47(49)53-20-9-18-51(45)58(53)55/h1-35H.
What are the key properties of 2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphthalen-1-yl-6-(4-pyrimidin-5-ylphenyl)-1,3,5-triazine?
2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphthalen-1-yl-6-(4-pyrimidin-5-ylphenyl)-1,3,5-triazine has a molecular weight of 837.99 g/mol, XLogP of 15.42, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphthalen-1-yl-6-(4-pyrimidin-5-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 153466253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).