2-[4-[2-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-yl]phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine

C62H44N10 — CID 58233314

IUPAC2-[4-[2-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-yl]phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine
SMILESCC1(C)c2cc(-c3ccc(-c4nc(-c5ccccn5)nc(-c5ccccn5)n4)cc3)ccc2-c2cc3c(cc21)-c1ccc(-c2ccc(-c4nc(-c5ccccn5)nc(-c5ccccn5)n4)cc2)cc1C3(C)C
InChIInChI=1S/C62H44N10/c1-61(2)47-33-41(37-17-21-39(22-18-37)55-67-57(51-13-5-9-29-63-51)71-58(68-55)52-14-6-10-30-64-52)25-27-43(47)45-36-50-46(35-49(45)61)44-28-26-42(34-48(44)62(50,3)4)38-19-23-40(24-20-38)56-69-59(53-15-7-11-31-65-53)72-60(70-56)54-16-8-12-32-66-54/h5-36H,1-4H3
InChIKeyNRSZISOTLWAVPM-UHFFFAOYSA-N
MW929.10 g/mol
LogP13.59
Rot. Bonds8

About 2-[4-[2-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-yl]phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine

2-[4-[2-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-yl]phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine (PubChem CID 58233314) has the molecular formula C62H44N10 and a molecular weight of 929.10 g/mol. Its IUPAC name is 2-[4-[2-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-yl]phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[2-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-yl]phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine
PubChem CID58233314
Molecular FormulaC62H44N10
Molecular Weight929.10 g/mol
Exact Mass928.38
IUPAC Name2-[4-[2-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-yl]phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine
SMILESCC1(C)c2cc(-c3ccc(-c4nc(-c5ccccn5)nc(-c5ccccn5)n4)cc3)ccc2-c2cc3c(cc21)-c1ccc(-c2ccc(-c4nc(-c5ccccn5)nc(-c5ccccn5)n4)cc2)cc1C3(C)C
InChIInChI=1S/C62H44N10/c1-61(2)47-33-41(37-17-21-39(22-18-37)55-67-57(51-13-5-9-29-63-51)71-58(68-55)52-14-6-10-30-64-52)25-27-43(47)45-36-50-46(35-49(45)61)44-28-26-42(34-48(44)62(50,3)4)38-19-23-40(24-20-38)56-69-59(53-15-7-11-31-65-53)72-60(70-56)54-16-8-12-32-66-54/h5-36H,1-4H3
InChIKeyNRSZISOTLWAVPM-UHFFFAOYSA-N
XLogP13.59
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500929.10
LogP ≤ 513.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-[4-[2-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-yl]phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-yl]phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine?
The IUPAC name of 2-[4-[2-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-yl]phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine (CID 58233314) is 2-[4-[2-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-yl]phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-[4-[2-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-yl]phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine?
The canonical SMILES for 2-[4-[2-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-yl]phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine is CC1(C)c2cc(-c3ccc(-c4nc(-c5ccccn5)nc(-c5ccccn5)n4)cc3)ccc2-c2cc3c(cc21)-c1ccc(-c2ccc(-c4nc(-c5ccccn5)nc(-c5ccccn5)n4)cc2)cc1C3(C)C.
What is the InChIKey of 2-[4-[2-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-yl]phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine?
The InChIKey is NRSZISOTLWAVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H44N10/c1-61(2)47-33-41(37-17-21-39(22-18-37)55-67-57(51-13-5-9-29-63-51)71-58(68-55)52-14-6-10-30-64-52)25-27-43(47)45-36-50-46(35-49(45)61)44-28-26-42(34-48(44)62(50,3)4)38-19-23-40(24-20-38)56-69-59(53-15-7-11-31-65-53)72-60(70-56)54-16-8-12-32-66-54/h5-36H,1-4H3.
What are the key properties of 2-[4-[2-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-yl]phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine?
2-[4-[2-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-yl]phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine has a molecular weight of 929.10 g/mol, XLogP of 13.59, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-yl]phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine is sourced from PubChem (CID 58233314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).