7-[5-methyl-6-(2-methylphenyl)-2-phenylpyrimidin-4-yl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine

C48H35N3O — CID 170096246

IUPAC7-[5-methyl-6-(2-methylphenyl)-2-phenylpyrimidin-4-yl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESCc1ccccc1-c1nc(-c2ccccc2)nc(-c2ccc3c(c2)oc2c(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cccc23)c1C
InChIInChI=1S/C48H35N3O/c1-32-15-12-13-22-40(32)46-33(2)45(49-48(50-46)36-18-8-4-9-19-36)37-27-30-41-42-23-14-24-43(47(42)52-44(41)31-37)51(38-20-10-5-11-21-38)39-28-25-35(26-29-39)34-16-6-3-7-17-34/h3-31H,1-2H3
InChIKeySYRCRUWLIOCWNE-UHFFFAOYSA-N
MW669.83 g/mol
LogP13.13
Rot. Bonds7

About 7-[5-methyl-6-(2-methylphenyl)-2-phenylpyrimidin-4-yl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine

7-[5-methyl-6-(2-methylphenyl)-2-phenylpyrimidin-4-yl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine (PubChem CID 170096246) has the molecular formula C48H35N3O and a molecular weight of 669.83 g/mol. Its IUPAC name is 7-[5-methyl-6-(2-methylphenyl)-2-phenylpyrimidin-4-yl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound Name7-[5-methyl-6-(2-methylphenyl)-2-phenylpyrimidin-4-yl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
PubChem CID170096246
Molecular FormulaC48H35N3O
Molecular Weight669.83 g/mol
Exact Mass669.28
IUPAC Name7-[5-methyl-6-(2-methylphenyl)-2-phenylpyrimidin-4-yl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESCc1ccccc1-c1nc(-c2ccccc2)nc(-c2ccc3c(c2)oc2c(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cccc23)c1C
InChIInChI=1S/C48H35N3O/c1-32-15-12-13-22-40(32)46-33(2)45(49-48(50-46)36-18-8-4-9-19-36)37-27-30-41-42-23-14-24-43(47(42)52-44(41)31-37)51(38-20-10-5-11-21-38)39-28-25-35(26-29-39)34-16-6-3-7-17-34/h3-31H,1-2H3
InChIKeySYRCRUWLIOCWNE-UHFFFAOYSA-N
XLogP13.13
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.83
LogP ≤ 513.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 170095984
7-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 170096125
7-(7-dibenzofuran-3-yldibenzofuran-3-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 174244796
N,17-diphenyl-N-(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-8-amine
CID 171050051
17-phenyl-N,N-bis(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-8-amine
CID 171050177
N,N-bis(9,9-dimethylfluoren-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-amine
CID 170096041
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 171757084
7-(6-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-diphenyldibenzofuran-4-amine
CID 174244414
7-bromo-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 134433063
N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 121241788
N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-amine
CID 170383733
N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 167143783

Frequently Asked Questions

What is the IUPAC name of 7-[5-methyl-6-(2-methylphenyl)-2-phenylpyrimidin-4-yl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine?
The IUPAC name of 7-[5-methyl-6-(2-methylphenyl)-2-phenylpyrimidin-4-yl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine (CID 170096246) is 7-[5-methyl-6-(2-methylphenyl)-2-phenylpyrimidin-4-yl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for 7-[5-methyl-6-(2-methylphenyl)-2-phenylpyrimidin-4-yl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine?
The canonical SMILES for 7-[5-methyl-6-(2-methylphenyl)-2-phenylpyrimidin-4-yl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine is Cc1ccccc1-c1nc(-c2ccccc2)nc(-c2ccc3c(c2)oc2c(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cccc23)c1C.
What is the InChIKey of 7-[5-methyl-6-(2-methylphenyl)-2-phenylpyrimidin-4-yl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine?
The InChIKey is SYRCRUWLIOCWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H35N3O/c1-32-15-12-13-22-40(32)46-33(2)45(49-48(50-46)36-18-8-4-9-19-36)37-27-30-41-42-23-14-24-43(47(42)52-44(41)31-37)51(38-20-10-5-11-21-38)39-28-25-35(26-29-39)34-16-6-3-7-17-34/h3-31H,1-2H3.
What are the key properties of 7-[5-methyl-6-(2-methylphenyl)-2-phenylpyrimidin-4-yl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine?
7-[5-methyl-6-(2-methylphenyl)-2-phenylpyrimidin-4-yl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine has a molecular weight of 669.83 g/mol, XLogP of 13.13, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-methyl-6-(2-methylphenyl)-2-phenylpyrimidin-4-yl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 170096246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).