2-[25-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14,28,28-tetramethyl-11-heptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaenyl]-4,6-diphenyl-1,3,5-triazine

C62H44N6 — CID 58233315

IUPAC2-[25-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14,28,28-tetramethyl-11-heptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2cc3c(cc2-c2c1cc(-c1nc(-c4ccccc4)nc(-c4ccccc4)n1)c1ccccc21)C(C)(C)c1cc(-c2nc(-c4ccccc4)nc(-c4ccccc4)n2)c2ccccc2c1-3
InChIInChI=1S/C62H44N6/c1-61(2)49-35-48-50(36-47(49)53-43-31-19-17-29-41(43)45(33-51(53)61)59-65-55(37-21-9-5-10-22-37)63-56(66-59)38-23-11-6-12-24-38)62(3,4)52-34-46(42-30-18-20-32-44(42)54(48)52)60-67-57(39-25-13-7-14-26-39)64-58(68-60)40-27-15-8-16-28-40/h5-36H,1-4H3
InChIKeyMCZXXHGQYJELFN-UHFFFAOYSA-N
MW873.08 g/mol
LogP14.98
Rot. Bonds6

About 2-[25-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14,28,28-tetramethyl-11-heptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaenyl]-4,6-diphenyl-1,3,5-triazine

2-[25-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14,28,28-tetramethyl-11-heptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 58233315) has the molecular formula C62H44N6 and a molecular weight of 873.08 g/mol. Its IUPAC name is 2-[25-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14,28,28-tetramethyl-11-heptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[25-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14,28,28-tetramethyl-11-heptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID58233315
Molecular FormulaC62H44N6
Molecular Weight873.08 g/mol
Exact Mass872.36
IUPAC Name2-[25-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14,28,28-tetramethyl-11-heptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2cc3c(cc2-c2c1cc(-c1nc(-c4ccccc4)nc(-c4ccccc4)n1)c1ccccc21)C(C)(C)c1cc(-c2nc(-c4ccccc4)nc(-c4ccccc4)n2)c2ccccc2c1-3
InChIInChI=1S/C62H44N6/c1-61(2)49-35-48-50(36-47(49)53-43-31-19-17-29-41(43)45(33-51(53)61)59-65-55(37-21-9-5-10-22-37)63-56(66-59)38-23-11-6-12-24-38)62(3,4)52-34-46(42-30-18-20-32-44(42)54(48)52)60-67-57(39-25-13-7-14-26-39)64-58(68-60)40-27-15-8-16-28-40/h5-36H,1-4H3
InChIKeyMCZXXHGQYJELFN-UHFFFAOYSA-N
XLogP14.98
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500873.08
LogP ≤ 514.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[25-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14,28,28-tetramethyl-11-heptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaenyl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[25-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14,28,28-tetramethyl-11-heptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[25-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14,28,28-tetramethyl-11-heptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaenyl]-4,6-diphenyl-1,3,5-triazine (CID 58233315) is 2-[25-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14,28,28-tetramethyl-11-heptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[25-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14,28,28-tetramethyl-11-heptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[25-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14,28,28-tetramethyl-11-heptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaenyl]-4,6-diphenyl-1,3,5-triazine is CC1(C)c2cc3c(cc2-c2c1cc(-c1nc(-c4ccccc4)nc(-c4ccccc4)n1)c1ccccc21)C(C)(C)c1cc(-c2nc(-c4ccccc4)nc(-c4ccccc4)n2)c2ccccc2c1-3.
What is the InChIKey of 2-[25-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14,28,28-tetramethyl-11-heptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is MCZXXHGQYJELFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H44N6/c1-61(2)49-35-48-50(36-47(49)53-43-31-19-17-29-41(43)45(33-51(53)61)59-65-55(37-21-9-5-10-22-37)63-56(66-59)38-23-11-6-12-24-38)62(3,4)52-34-46(42-30-18-20-32-44(42)54(48)52)60-67-57(39-25-13-7-14-26-39)64-58(68-60)40-27-15-8-16-28-40/h5-36H,1-4H3.
What are the key properties of 2-[25-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14,28,28-tetramethyl-11-heptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaenyl]-4,6-diphenyl-1,3,5-triazine?
2-[25-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14,28,28-tetramethyl-11-heptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 873.08 g/mol, XLogP of 14.98, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[25-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14,28,28-tetramethyl-11-heptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 58233315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).