2-[4-[1-[2-[4-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)phenyl]phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine

C59H45N5 — CID 170277804

IUPAC2-[4-[1-[2-[4-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)phenyl]phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESC1=C(c2ccccc2)NC(c2ccc(-c3ccccc3-c3c(-c4ccc(C5NC(c6ccccc6)=NC(c6ccccc6)N5)cc4)ccc4ccccc34)cc2)N=C1c1ccccc1
InChIInChI=1S/C59H45N5/c1-5-18-43(19-6-1)53-39-54(44-20-7-2-8-21-44)61-56(60-53)47-33-29-41(30-34-47)49-26-15-16-28-52(49)55-50-27-14-13-17-40(50)37-38-51(55)42-31-35-48(36-32-42)59-63-57(45-22-9-3-10-23-45)62-58(64-59)46-24-11-4-12-25-46/h1-39,56-57,59-60,63H,(H,62,64)
InChIKeyUXZFRJOGYLRXFO-UHFFFAOYSA-N
MW824.04 g/mol
LogP13.31
Rot. Bonds9

About 2-[4-[1-[2-[4-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)phenyl]phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine

2-[4-[1-[2-[4-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)phenyl]phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine (PubChem CID 170277804) has the molecular formula C59H45N5 and a molecular weight of 824.04 g/mol. Its IUPAC name is 2-[4-[1-[2-[4-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)phenyl]phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[1-[2-[4-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)phenyl]phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
PubChem CID170277804
Molecular FormulaC59H45N5
Molecular Weight824.04 g/mol
Exact Mass823.37
IUPAC Name2-[4-[1-[2-[4-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)phenyl]phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESC1=C(c2ccccc2)NC(c2ccc(-c3ccccc3-c3c(-c4ccc(C5NC(c6ccccc6)=NC(c6ccccc6)N5)cc4)ccc4ccccc34)cc2)N=C1c1ccccc1
InChIInChI=1S/C59H45N5/c1-5-18-43(19-6-1)53-39-54(44-20-7-2-8-21-44)61-56(60-53)47-33-29-41(30-34-47)49-26-15-16-28-52(49)55-50-27-14-13-17-40(50)37-38-51(55)42-31-35-48(36-32-42)59-63-57(45-22-9-3-10-23-45)62-58(64-59)46-24-11-4-12-25-46/h1-39,56-57,59-60,63H,(H,62,64)
InChIKeyUXZFRJOGYLRXFO-UHFFFAOYSA-N
XLogP13.31
TPSA60.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500824.04
LogP ≤ 513.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[4-[1-[2-[4-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)phenyl]phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[2-[4-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)phenyl]phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
The IUPAC name of 2-[4-[1-[2-[4-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)phenyl]phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine (CID 170277804) is 2-[4-[1-[2-[4-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)phenyl]phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine.
What is the SMILES notation for 2-[4-[1-[2-[4-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)phenyl]phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
The canonical SMILES for 2-[4-[1-[2-[4-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)phenyl]phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine is C1=C(c2ccccc2)NC(c2ccc(-c3ccccc3-c3c(-c4ccc(C5NC(c6ccccc6)=NC(c6ccccc6)N5)cc4)ccc4ccccc34)cc2)N=C1c1ccccc1.
What is the InChIKey of 2-[4-[1-[2-[4-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)phenyl]phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
The InChIKey is UXZFRJOGYLRXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H45N5/c1-5-18-43(19-6-1)53-39-54(44-20-7-2-8-21-44)61-56(60-53)47-33-29-41(30-34-47)49-26-15-16-28-52(49)55-50-27-14-13-17-40(50)37-38-51(55)42-31-35-48(36-32-42)59-63-57(45-22-9-3-10-23-45)62-58(64-59)46-24-11-4-12-25-46/h1-39,56-57,59-60,63H,(H,62,64).
What are the key properties of 2-[4-[1-[2-[4-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)phenyl]phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
2-[4-[1-[2-[4-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)phenyl]phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine has a molecular weight of 824.04 g/mol, XLogP of 13.31, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[2-[4-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)phenyl]phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine is sourced from PubChem (CID 170277804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).