N-[5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-(2-phenylphenyl)phenyl]naphthalene-1-carboxamide

C51H35N3O — CID 146548407

IUPACN-[5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-(2-phenylphenyl)phenyl]naphthalene-1-carboxamide
SMILESO=C(Nc1cc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)ccc1-c1ccccc1-c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C51H35N3O/c55-51(46-26-14-22-37-17-10-11-24-43(37)46)54-49-33-41(31-32-45(49)44-25-13-12-23-42(44)36-15-4-1-5-16-36)35-27-29-39(30-28-35)48-34-47(38-18-6-2-7-19-38)52-50(53-48)40-20-8-3-9-21-40/h1-34H,(H,54,55)
InChIKeyQRYAHKOQSUUPPZ-UHFFFAOYSA-N
MW705.86 g/mol
LogP12.88
Rot. Bonds8

About N-[5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-(2-phenylphenyl)phenyl]naphthalene-1-carboxamide

N-[5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-(2-phenylphenyl)phenyl]naphthalene-1-carboxamide (PubChem CID 146548407) has the molecular formula C51H35N3O and a molecular weight of 705.86 g/mol. Its IUPAC name is N-[5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-(2-phenylphenyl)phenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-(2-phenylphenyl)phenyl]naphthalene-1-carboxamide
PubChem CID146548407
Molecular FormulaC51H35N3O
Molecular Weight705.86 g/mol
Exact Mass705.28
IUPAC NameN-[5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-(2-phenylphenyl)phenyl]naphthalene-1-carboxamide
SMILESO=C(Nc1cc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)ccc1-c1ccccc1-c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C51H35N3O/c55-51(46-26-14-22-37-17-10-11-24-43(37)46)54-49-33-41(31-32-45(49)44-25-13-12-23-42(44)36-15-4-1-5-16-36)35-27-29-39(30-28-35)48-34-47(38-18-6-2-7-19-38)52-50(53-48)40-20-8-3-9-21-40/h1-34H,(H,54,55)
InChIKeyQRYAHKOQSUUPPZ-UHFFFAOYSA-N
XLogP12.88
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.86
LogP ≤ 512.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 159653771
4-[4-(4-fluoranthen-3-ylphenyl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 170003344
2,4-diphenyl-6-[3-[3-[4-phenyl-3-(2-phenylphenyl)phenyl]phenyl]phenyl]pyrimidine
CID 121450646
4-[2-(4-fluoranthen-3-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 170003546
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-[5-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]naphthalen-1-yl]pyrimidine
CID 122470462
2-(2,5-diphenylphenyl)-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 169297414
4,6-bis(4-fluoranthen-3-ylphenyl)-2-phenylpyrimidine
CID 59779601
4-(4-naphthalen-1-ylphenyl)-6-(7-phenylphenanthren-2-yl)-2-(4-phenylphenyl)pyrimidine
CID 168844850
4-naphthalen-1-yl-2,6-diphenylpyrimidine
CID 71273252
2-phenyl-4-(2-phenylphenyl)-6-[4-[2-[2-[4-[2-phenyl-6-(2-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]phenyl]pyrimidine
CID 167202425
2-[3-[4-[2-(3,4-diphenylphenyl)-6-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 163549585
2,4-diphenyl-6-[4-[3-[6-phenyl-2-[3-(2-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-[3-[6-phenyl-2-[4-(2-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 163852198

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-(2-phenylphenyl)phenyl]naphthalene-1-carboxamide?
The IUPAC name of N-[5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-(2-phenylphenyl)phenyl]naphthalene-1-carboxamide (CID 146548407) is N-[5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-(2-phenylphenyl)phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-(2-phenylphenyl)phenyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-(2-phenylphenyl)phenyl]naphthalene-1-carboxamide is O=C(Nc1cc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)ccc1-c1ccccc1-c1ccccc1)c1cccc2ccccc12.
What is the InChIKey of N-[5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-(2-phenylphenyl)phenyl]naphthalene-1-carboxamide?
The InChIKey is QRYAHKOQSUUPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N3O/c55-51(46-26-14-22-37-17-10-11-24-43(37)46)54-49-33-41(31-32-45(49)44-25-13-12-23-42(44)36-15-4-1-5-16-36)35-27-29-39(30-28-35)48-34-47(38-18-6-2-7-19-38)52-50(53-48)40-20-8-3-9-21-40/h1-34H,(H,54,55).
What are the key properties of N-[5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-(2-phenylphenyl)phenyl]naphthalene-1-carboxamide?
N-[5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-(2-phenylphenyl)phenyl]naphthalene-1-carboxamide has a molecular weight of 705.86 g/mol, XLogP of 12.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-(2-phenylphenyl)phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 146548407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).