2-naphthalen-1-yl-4,6-bis(4-naphthalen-1-ylphenyl)pyrimidine

C46H30N2 — CID 129265535

IUPAC2-naphthalen-1-yl-4,6-bis(4-naphthalen-1-ylphenyl)pyrimidine
SMILESc1ccc2c(-c3ccc(-c4cc(-c5ccc(-c6cccc7ccccc67)cc5)nc(-c5cccc6ccccc56)n4)cc3)cccc2c1
InChIInChI=1S/C46H30N2/c1-4-16-38-31(10-1)13-7-19-40(38)34-22-26-36(27-23-34)44-30-45(48-46(47-44)43-21-9-15-33-12-3-6-18-42(33)43)37-28-24-35(25-29-37)41-20-8-14-32-11-2-5-17-39(32)41/h1-30H
InChIKeyDTCSBMDQAPQEFZ-UHFFFAOYSA-N
MW610.76 g/mol
LogP12.27
Rot. Bonds5

About 2-naphthalen-1-yl-4,6-bis(4-naphthalen-1-ylphenyl)pyrimidine

2-naphthalen-1-yl-4,6-bis(4-naphthalen-1-ylphenyl)pyrimidine (PubChem CID 129265535) has the molecular formula C46H30N2 and a molecular weight of 610.76 g/mol. Its IUPAC name is 2-naphthalen-1-yl-4,6-bis(4-naphthalen-1-ylphenyl)pyrimidine.

Molecular Properties

Compound Name2-naphthalen-1-yl-4,6-bis(4-naphthalen-1-ylphenyl)pyrimidine
PubChem CID129265535
Molecular FormulaC46H30N2
Molecular Weight610.76 g/mol
Exact Mass610.24
IUPAC Name2-naphthalen-1-yl-4,6-bis(4-naphthalen-1-ylphenyl)pyrimidine
SMILESc1ccc2c(-c3ccc(-c4cc(-c5ccc(-c6cccc7ccccc67)cc5)nc(-c5cccc6ccccc56)n4)cc3)cccc2c1
InChIInChI=1S/C46H30N2/c1-4-16-38-31(10-1)13-7-19-40(38)34-22-26-36(27-23-34)44-30-45(48-46(47-44)43-21-9-15-33-12-3-6-18-42(33)43)37-28-24-35(25-29-37)41-20-8-14-32-11-2-5-17-39(32)41/h1-30H
InChIKeyDTCSBMDQAPQEFZ-UHFFFAOYSA-N
XLogP12.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.76
LogP ≤ 512.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-naphthalen-1-yl-4-(3-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 130465785
2-naphthalen-1-yl-4-(4-naphthalen-1-ylphenyl)-6-pyridin-3-ylpyrimidine
CID 155089111
4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 159653771
4-(3-iodophenyl)-2-naphthalen-1-yl-6-phenylpyrimidine
CID 135215553
2-methyl-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 130260993
4-naphthalen-1-yl-6-naphthalen-2-yl-2-[4-[5-[4-(4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidin-2-yl)phenyl]naphthalen-1-yl]phenyl]pyrimidine
CID 122447956
2-(2-methylphenyl)-4,6-bis(3-naphthalen-1-ylphenyl)pyrimidine
CID 123694324
2-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine
CID 168777315
3-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]-1-phenylbenzo[f]quinoline
CID 138644076
4-naphthalen-1-yl-2,6-diphenylpyrimidine
CID 71273252
4-phenanthren-2-yl-6-[4-[5-[4-(6-phenanthren-2-yl-2-phenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]-2-phenylpyrimidine
CID 122448075
4-[4-[2-(3-naphthalen-1-ylphenyl)-6-(4-naphthalen-1-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline
CID 121384370

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-4,6-bis(4-naphthalen-1-ylphenyl)pyrimidine?
The IUPAC name of 2-naphthalen-1-yl-4,6-bis(4-naphthalen-1-ylphenyl)pyrimidine (CID 129265535) is 2-naphthalen-1-yl-4,6-bis(4-naphthalen-1-ylphenyl)pyrimidine.
What is the SMILES notation for 2-naphthalen-1-yl-4,6-bis(4-naphthalen-1-ylphenyl)pyrimidine?
The canonical SMILES for 2-naphthalen-1-yl-4,6-bis(4-naphthalen-1-ylphenyl)pyrimidine is c1ccc2c(-c3ccc(-c4cc(-c5ccc(-c6cccc7ccccc67)cc5)nc(-c5cccc6ccccc56)n4)cc3)cccc2c1.
What is the InChIKey of 2-naphthalen-1-yl-4,6-bis(4-naphthalen-1-ylphenyl)pyrimidine?
The InChIKey is DTCSBMDQAPQEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2/c1-4-16-38-31(10-1)13-7-19-40(38)34-22-26-36(27-23-34)44-30-45(48-46(47-44)43-21-9-15-33-12-3-6-18-42(33)43)37-28-24-35(25-29-37)41-20-8-14-32-11-2-5-17-39(32)41/h1-30H.
What are the key properties of 2-naphthalen-1-yl-4,6-bis(4-naphthalen-1-ylphenyl)pyrimidine?
2-naphthalen-1-yl-4,6-bis(4-naphthalen-1-ylphenyl)pyrimidine has a molecular weight of 610.76 g/mol, XLogP of 12.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-4,6-bis(4-naphthalen-1-ylphenyl)pyrimidine is sourced from PubChem (CID 129265535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).