2-[7-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]-4b,8a-dihydrotriphenylen-2-yl]phenol

C46H32N2O — CID 167648055

IUPAC2-[7-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]-4b,8a-dihydrotriphenylen-2-yl]phenol
SMILESOc1ccccc1-c1ccc2c(c1)-c1ccccc1C1C=C(c3cc(-c4cccc(-c5ccccc5)c4)nc(-c4ccccc4)n3)C=CC21
InChIInChI=1S/C46H32N2O/c49-45-21-10-9-18-36(45)33-22-24-39-40-25-23-35(28-42(40)38-20-8-7-19-37(38)41(39)27-33)44-29-43(47-46(48-44)31-14-5-2-6-15-31)34-17-11-16-32(26-34)30-12-3-1-4-13-30/h1-29,40,42,49H
InChIKeyIYLPUCIEBUVEFQ-UHFFFAOYSA-N
MW628.78 g/mol
LogP11.35
Rot. Bonds5

About 2-[7-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]-4b,8a-dihydrotriphenylen-2-yl]phenol

2-[7-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]-4b,8a-dihydrotriphenylen-2-yl]phenol (PubChem CID 167648055) has the molecular formula C46H32N2O and a molecular weight of 628.78 g/mol. Its IUPAC name is 2-[7-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]-4b,8a-dihydrotriphenylen-2-yl]phenol.

Molecular Properties

Compound Name2-[7-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]-4b,8a-dihydrotriphenylen-2-yl]phenol
PubChem CID167648055
Molecular FormulaC46H32N2O
Molecular Weight628.78 g/mol
Exact Mass628.25
IUPAC Name2-[7-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]-4b,8a-dihydrotriphenylen-2-yl]phenol
SMILESOc1ccccc1-c1ccc2c(c1)-c1ccccc1C1C=C(c3cc(-c4cccc(-c5ccccc5)c4)nc(-c4ccccc4)n3)C=CC21
InChIInChI=1S/C46H32N2O/c49-45-21-10-9-18-36(45)33-22-24-39-40-25-23-35(28-42(40)38-20-8-7-19-37(38)41(39)27-33)44-29-43(47-46(48-44)31-14-5-2-6-15-31)34-17-11-16-32(26-34)30-12-3-1-4-13-30/h1-29,40,42,49H
InChIKeyIYLPUCIEBUVEFQ-UHFFFAOYSA-N
XLogP11.35
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.78
LogP ≤ 511.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
2,4-diphenyl-6-[4-[3-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;bis(2,4-diphenyl-6-[4-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine)
CID 163726860
2,4-diphenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]pyrimidine
CID 58943731
2-(4-methylphenyl)-4-phenyl-6-(3-phenylphenyl)pyrimidine
CID 129023209
2,4-diphenyl-6-[3-(4-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-3-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine
CID 167644198
2,4-diphenyl-6-[3-[3-[4-phenyl-3-(2-phenylphenyl)phenyl]phenyl]phenyl]pyrimidine
CID 121450646
4-(2,5-diphenylphenyl)-6-[11-[6-(2,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidine
CID 165150984
4-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2(7),3,5,9,11,15,17,19,21,24-undecaen-5-yl)-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 167595449
2-(3,5-diphenylphenyl)-4-phenyl-6-[4-[3-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2-(3,5-diphenylphenyl)-4-phenyl-6-[4-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 163630452
4-[3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3-[3-[4-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 163795060
4-methyl-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 121360265
4,6-bis(3-phenylphenyl)-2-[4-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]phenyl]pyrimidine
CID 167363784

Frequently Asked Questions

What is the IUPAC name of 2-[7-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]-4b,8a-dihydrotriphenylen-2-yl]phenol?
The IUPAC name of 2-[7-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]-4b,8a-dihydrotriphenylen-2-yl]phenol (CID 167648055) is 2-[7-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]-4b,8a-dihydrotriphenylen-2-yl]phenol.
What is the SMILES notation for 2-[7-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]-4b,8a-dihydrotriphenylen-2-yl]phenol?
The canonical SMILES for 2-[7-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]-4b,8a-dihydrotriphenylen-2-yl]phenol is Oc1ccccc1-c1ccc2c(c1)-c1ccccc1C1C=C(c3cc(-c4cccc(-c5ccccc5)c4)nc(-c4ccccc4)n3)C=CC21.
What is the InChIKey of 2-[7-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]-4b,8a-dihydrotriphenylen-2-yl]phenol?
The InChIKey is IYLPUCIEBUVEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N2O/c49-45-21-10-9-18-36(45)33-22-24-39-40-25-23-35(28-42(40)38-20-8-7-19-37(38)41(39)27-33)44-29-43(47-46(48-44)31-14-5-2-6-15-31)34-17-11-16-32(26-34)30-12-3-1-4-13-30/h1-29,40,42,49H.
What are the key properties of 2-[7-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]-4b,8a-dihydrotriphenylen-2-yl]phenol?
2-[7-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]-4b,8a-dihydrotriphenylen-2-yl]phenol has a molecular weight of 628.78 g/mol, XLogP of 11.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]-4b,8a-dihydrotriphenylen-2-yl]phenol is sourced from PubChem (CID 167648055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).