2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine

C49H31N7 — CID 58382639

IUPAC2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
SMILESc1cnc(-c2ccc(-c3cc(-c4ccc(-c5ncccn5)cc4)cc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)c3)cc2)nc1
InChIInChI=1S/C49H31N7/c1-3-9-38-27-40(21-15-32(38)7-1)47-54-48(41-22-16-33-8-2-4-10-39(33)28-41)56-49(55-47)44-30-42(34-11-17-36(18-12-34)45-50-23-5-24-51-45)29-43(31-44)35-13-19-37(20-14-35)46-52-25-6-26-53-46/h1-31H
InChIKeySAPAMJDZCHJFQZ-UHFFFAOYSA-N
MW717.84 g/mol
LogP11.43
Rot. Bonds7

About 2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine

2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine (PubChem CID 58382639) has the molecular formula C49H31N7 and a molecular weight of 717.84 g/mol. Its IUPAC name is 2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
PubChem CID58382639
Molecular FormulaC49H31N7
Molecular Weight717.84 g/mol
Exact Mass717.26
IUPAC Name2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
SMILESc1cnc(-c2ccc(-c3cc(-c4ccc(-c5ncccn5)cc4)cc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)c3)cc2)nc1
InChIInChI=1S/C49H31N7/c1-3-9-38-27-40(21-15-32(38)7-1)47-54-48(41-22-16-33-8-2-4-10-39(33)28-41)56-49(55-47)44-30-42(34-11-17-36(18-12-34)45-50-23-5-24-51-45)29-43(31-44)35-13-19-37(20-14-35)46-52-25-6-26-53-46/h1-31H
InChIKeySAPAMJDZCHJFQZ-UHFFFAOYSA-N
XLogP11.43
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.84
LogP ≤ 511.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-naphthalen-2-yl-4-phenyl-6-[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine
CID 122543044
2-[3-[3-[3-(3-naphthalen-2-yl-5-phenylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121311605
2,4-bis(3,5-diphenylphenyl)-6-naphthalen-2-yl-1,3,5-triazine;2-[3,5-bis(4-naphthalen-2-ylphenyl)phenyl]naphthalene;2-naphthalen-2-yl-4,6-bis(3-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 163792749
2-(3,5-dipyridin-2-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 118582331
2-[4-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-2-ylphenyl]phenyl]pyrimidine
CID 129292668
2,4-diphenyl-6-[3-(4-pyrimidin-2-ylphenyl)phenyl]-1,3,5-triazine
CID 130184133
2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 58382636
2-naphthalen-2-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 163794965
2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 154626597
2,4-dinaphthalen-2-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 154589115
2-naphthalen-2-yl-4-phenyl-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 122606651
2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 170180018

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The IUPAC name of 2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine (CID 58382639) is 2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The canonical SMILES for 2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine is c1cnc(-c2ccc(-c3cc(-c4ccc(-c5ncccn5)cc4)cc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)c3)cc2)nc1.
What is the InChIKey of 2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The InChIKey is SAPAMJDZCHJFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N7/c1-3-9-38-27-40(21-15-32(38)7-1)47-54-48(41-22-16-33-8-2-4-10-39(33)28-41)56-49(55-47)44-30-42(34-11-17-36(18-12-34)45-50-23-5-24-51-45)29-43(31-44)35-13-19-37(20-14-35)46-52-25-6-26-53-46/h1-31H.
What are the key properties of 2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine?
2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine has a molecular weight of 717.84 g/mol, XLogP of 11.43, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine is sourced from PubChem (CID 58382639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).