2,4-diphenyl-6-(7,9,9-trimethylfluoren-2-yl)pyrimidine;4,6-diphenyl-2-(7,9,9-trimethylfluoren-2-yl)pyrimidine;4-methyl-2,6-diphenylpyridine;4-(3-methylphenyl)-2,6-diphenylpyridine;4-(4-methylphenyl)-2,6-diphenylpyridine

C130H105N7 — CID 162061820

IUPAC2,4-diphenyl-6-(7,9,9-trimethylfluoren-2-yl)pyrimidine;4,6-diphenyl-2-(7,9,9-trimethylfluoren-2-yl)pyrimidine;4-methyl-2,6-diphenylpyridine;4-(3-methylphenyl)-2,6-diphenylpyridine;4-(4-methylphenyl)-2,6-diphenylpyridine
SMILESCc1cc(-c2ccccc2)nc(-c2ccccc2)c1.Cc1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1.Cc1ccc2c(c1)C(C)(C)c1cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)ccc1-2.Cc1ccc2c(c1)C(C)(C)c1cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)ccc1-2.Cc1cccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)c1
InChIInChI=1S/2C32H26N2.2C24H19N.C18H15N/c1-21-14-16-25-26-17-15-24(19-28(26)32(2,3)27(25)18-21)30-20-29(22-10-6-4-7-11-22)33-31(34-30)23-12-8-5-9-13-23;1-21-14-16-25-26-17-15-24(19-28(26)32(2,3)27(25)18-21)31-33-29(22-10-6-4-7-11-22)20-30(34-31)23-12-8-5-9-13-23;1-18-9-8-14-21(15-18)22-16-23(19-10-4-2-5-11-19)25-24(17-22)20-12-6-3-7-13-20;1-18-12-14-19(15-13-18)22-16-23(20-8-4-2-5-9-20)25-24(17-22)21-10-6-3-7-11-21;1-14-12-17(15-8-4-2-5-9-15)19-18(13-14)16-10-6-3-7-11-16/h2*4-20H,1-3H3;2*2-17H,1H3;2-13H,1H3
InChIKeyYZYDUGBNFQFAFP-UHFFFAOYSA-N
MW1765.32 g/mol
LogP33.69
Rot. Bonds14

About 2,4-diphenyl-6-(7,9,9-trimethylfluoren-2-yl)pyrimidine;4,6-diphenyl-2-(7,9,9-trimethylfluoren-2-yl)pyrimidine;4-methyl-2,6-diphenylpyridine;4-(3-methylphenyl)-2,6-diphenylpyridine;4-(4-methylphenyl)-2,6-diphenylpyridine

2,4-diphenyl-6-(7,9,9-trimethylfluoren-2-yl)pyrimidine;4,6-diphenyl-2-(7,9,9-trimethylfluoren-2-yl)pyrimidine;4-methyl-2,6-diphenylpyridine;4-(3-methylphenyl)-2,6-diphenylpyridine;4-(4-methylphenyl)-2,6-diphenylpyridine (PubChem CID 162061820) has the molecular formula C130H105N7 and a molecular weight of 1765.32 g/mol. Its IUPAC name is 2,4-diphenyl-6-(7,9,9-trimethylfluoren-2-yl)pyrimidine;4,6-diphenyl-2-(7,9,9-trimethylfluoren-2-yl)pyrimidine;4-methyl-2,6-diphenylpyridine;4-(3-methylphenyl)-2,6-diphenylpyridine;4-(4-methylphenyl)-2,6-diphenylpyridine.

Molecular Properties

Compound Name2,4-diphenyl-6-(7,9,9-trimethylfluoren-2-yl)pyrimidine;4,6-diphenyl-2-(7,9,9-trimethylfluoren-2-yl)pyrimidine;4-methyl-2,6-diphenylpyridine;4-(3-methylphenyl)-2,6-diphenylpyridine;4-(4-methylphenyl)-2,6-diphenylpyridine
PubChem CID162061820
Molecular FormulaC130H105N7
Molecular Weight1765.32 g/mol
Exact Mass1763.84
IUPAC Name2,4-diphenyl-6-(7,9,9-trimethylfluoren-2-yl)pyrimidine;4,6-diphenyl-2-(7,9,9-trimethylfluoren-2-yl)pyrimidine;4-methyl-2,6-diphenylpyridine;4-(3-methylphenyl)-2,6-diphenylpyridine;4-(4-methylphenyl)-2,6-diphenylpyridine
SMILESCc1cc(-c2ccccc2)nc(-c2ccccc2)c1.Cc1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1.Cc1ccc2c(c1)C(C)(C)c1cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)ccc1-2.Cc1ccc2c(c1)C(C)(C)c1cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)ccc1-2.Cc1cccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)c1
InChIInChI=1S/2C32H26N2.2C24H19N.C18H15N/c1-21-14-16-25-26-17-15-24(19-28(26)32(2,3)27(25)18-21)30-20-29(22-10-6-4-7-11-22)33-31(34-30)23-12-8-5-9-13-23;1-21-14-16-25-26-17-15-24(19-28(26)32(2,3)27(25)18-21)31-33-29(22-10-6-4-7-11-22)20-30(34-31)23-12-8-5-9-13-23;1-18-9-8-14-21(15-18)22-16-23(19-10-4-2-5-11-19)25-24(17-22)20-12-6-3-7-13-20;1-18-12-14-19(15-13-18)22-16-23(20-8-4-2-5-9-20)25-24(17-22)21-10-6-3-7-11-21;1-14-12-17(15-8-4-2-5-9-15)19-18(13-14)16-10-6-3-7-11-16/h2*4-20H,1-3H3;2*2-17H,1H3;2-13H,1H3
InChIKeyYZYDUGBNFQFAFP-UHFFFAOYSA-N
XLogP33.69
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms137
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001765.32
LogP ≤ 533.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2,4-diphenyl-6-(7,9,9-trimethylfluoren-2-yl)pyrimidine;4,6-diphenyl-2-(7,9,9-trimethylfluoren-2-yl)pyrimidine;4-methyl-2,6-diphenylpyridine;4-(3-methylphenyl)-2,6-diphenylpyridine;4-(4-methylphenyl)-2,6-diphenylpyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-(7,9,9-trimethylfluoren-2-yl)pyrimidine;4,6-diphenyl-2-(7,9,9-trimethylfluoren-2-yl)pyrimidine;4-methyl-2,6-diphenylpyridine;4-(3-methylphenyl)-2,6-diphenylpyridine;4-(4-methylphenyl)-2,6-diphenylpyridine?
The IUPAC name of 2,4-diphenyl-6-(7,9,9-trimethylfluoren-2-yl)pyrimidine;4,6-diphenyl-2-(7,9,9-trimethylfluoren-2-yl)pyrimidine;4-methyl-2,6-diphenylpyridine;4-(3-methylphenyl)-2,6-diphenylpyridine;4-(4-methylphenyl)-2,6-diphenylpyridine (CID 162061820) is 2,4-diphenyl-6-(7,9,9-trimethylfluoren-2-yl)pyrimidine;4,6-diphenyl-2-(7,9,9-trimethylfluoren-2-yl)pyrimidine;4-methyl-2,6-diphenylpyridine;4-(3-methylphenyl)-2,6-diphenylpyridine;4-(4-methylphenyl)-2,6-diphenylpyridine.
What is the SMILES notation for 2,4-diphenyl-6-(7,9,9-trimethylfluoren-2-yl)pyrimidine;4,6-diphenyl-2-(7,9,9-trimethylfluoren-2-yl)pyrimidine;4-methyl-2,6-diphenylpyridine;4-(3-methylphenyl)-2,6-diphenylpyridine;4-(4-methylphenyl)-2,6-diphenylpyridine?
The canonical SMILES for 2,4-diphenyl-6-(7,9,9-trimethylfluoren-2-yl)pyrimidine;4,6-diphenyl-2-(7,9,9-trimethylfluoren-2-yl)pyrimidine;4-methyl-2,6-diphenylpyridine;4-(3-methylphenyl)-2,6-diphenylpyridine;4-(4-methylphenyl)-2,6-diphenylpyridine is Cc1cc(-c2ccccc2)nc(-c2ccccc2)c1.Cc1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1.Cc1ccc2c(c1)C(C)(C)c1cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)ccc1-2.Cc1ccc2c(c1)C(C)(C)c1cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)ccc1-2.Cc1cccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)c1.
What is the InChIKey of 2,4-diphenyl-6-(7,9,9-trimethylfluoren-2-yl)pyrimidine;4,6-diphenyl-2-(7,9,9-trimethylfluoren-2-yl)pyrimidine;4-methyl-2,6-diphenylpyridine;4-(3-methylphenyl)-2,6-diphenylpyridine;4-(4-methylphenyl)-2,6-diphenylpyridine?
The InChIKey is YZYDUGBNFQFAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C32H26N2.2C24H19N.C18H15N/c1-21-14-16-25-26-17-15-24(19-28(26)32(2,3)27(25)18-21)30-20-29(22-10-6-4-7-11-22)33-31(34-30)23-12-8-5-9-13-23;1-21-14-16-25-26-17-15-24(19-28(26)32(2,3)27(25)18-21)31-33-29(22-10-6-4-7-11-22)20-30(34-31)23-12-8-5-9-13-23;1-18-9-8-14-21(15-18)22-16-23(19-10-4-2-5-11-19)25-24(17-22)20-12-6-3-7-13-20;1-18-12-14-19(15-13-18)22-16-23(20-8-4-2-5-9-20)25-24(17-22)21-10-6-3-7-11-21;1-14-12-17(15-8-4-2-5-9-15)19-18(13-14)16-10-6-3-7-11-16/h2*4-20H,1-3H3;2*2-17H,1H3;2-13H,1H3.
What are the key properties of 2,4-diphenyl-6-(7,9,9-trimethylfluoren-2-yl)pyrimidine;4,6-diphenyl-2-(7,9,9-trimethylfluoren-2-yl)pyrimidine;4-methyl-2,6-diphenylpyridine;4-(3-methylphenyl)-2,6-diphenylpyridine;4-(4-methylphenyl)-2,6-diphenylpyridine?
2,4-diphenyl-6-(7,9,9-trimethylfluoren-2-yl)pyrimidine;4,6-diphenyl-2-(7,9,9-trimethylfluoren-2-yl)pyrimidine;4-methyl-2,6-diphenylpyridine;4-(3-methylphenyl)-2,6-diphenylpyridine;4-(4-methylphenyl)-2,6-diphenylpyridine has a molecular weight of 1765.32 g/mol, XLogP of 33.69, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-(7,9,9-trimethylfluoren-2-yl)pyrimidine;4,6-diphenyl-2-(7,9,9-trimethylfluoren-2-yl)pyrimidine;4-methyl-2,6-diphenylpyridine;4-(3-methylphenyl)-2,6-diphenylpyridine;4-(4-methylphenyl)-2,6-diphenylpyridine is sourced from PubChem (CID 162061820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).