2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2,7-dimethylfluoren-9-one;2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine;1-methyl-4-[(4-methylphenyl)-diphenylmethyl]benzene

C113H116N6O — CID 157405437

IUPAC2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2,7-dimethylfluoren-9-one;2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine;1-methyl-4-[(4-methylphenyl)-diphenylmethyl]benzene
SMILESCc1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(C)cc2)cc1.Cc1ccc(C)nc1.Cc1ccc(C2(c3ccc(C)cc3)c3cc(C)ccc3-c3ccc(C)cc32)cc1.Cc1ccc2c(c1)C(=O)c1cc(C)ccc1-2.Cc1cccc(C)n1.Cc1cccnc1C.Cc1ccnc(C)c1.Cc1ccncc1C.Cc1cncc(C)c1
InChIInChI=1S/C29H26.C27H24.C15H12O.6C7H9N/c1-19-5-11-23(12-6-19)29(24-13-7-20(2)8-14-24)27-17-21(3)9-15-25(27)26-16-10-22(4)18-28(26)29;1-21-13-17-25(18-14-21)27(23-9-5-3-6-10-23,24-11-7-4-8-12-24)26-19-15-22(2)16-20-26;1-9-3-5-11-12-6-4-10(2)8-14(12)15(16)13(11)7-9;1-6-3-7(2)5-8-4-6;1-6-3-4-8-5-7(6)2;1-6-3-4-8-7(2)5-6;1-6-3-4-7(2)8-5-6;1-6-4-3-5-8-7(6)2;1-6-4-3-5-7(2)8-6/h5-18H,1-4H3;3-20H,1-2H3;3-8H,1-2H3;6*3-5H,1-2H3
InChIKeyBNQWFFJOYCDJRE-UHFFFAOYSA-N
MW1574.21 g/mol
LogP27.67
Rot. Bonds6

About 2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2,7-dimethylfluoren-9-one;2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine;1-methyl-4-[(4-methylphenyl)-diphenylmethyl]benzene

2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2,7-dimethylfluoren-9-one;2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine;1-methyl-4-[(4-methylphenyl)-diphenylmethyl]benzene (PubChem CID 157405437) has the molecular formula C113H116N6O and a molecular weight of 1574.21 g/mol. Its IUPAC name is 2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2,7-dimethylfluoren-9-one;2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine;1-methyl-4-[(4-methylphenyl)-diphenylmethyl]benzene.

Molecular Properties

Compound Name2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2,7-dimethylfluoren-9-one;2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine;1-methyl-4-[(4-methylphenyl)-diphenylmethyl]benzene
PubChem CID157405437
Molecular FormulaC113H116N6O
Molecular Weight1574.21 g/mol
Exact Mass1572.92
IUPAC Name2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2,7-dimethylfluoren-9-one;2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine;1-methyl-4-[(4-methylphenyl)-diphenylmethyl]benzene
SMILESCc1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(C)cc2)cc1.Cc1ccc(C)nc1.Cc1ccc(C2(c3ccc(C)cc3)c3cc(C)ccc3-c3ccc(C)cc32)cc1.Cc1ccc2c(c1)C(=O)c1cc(C)ccc1-2.Cc1cccc(C)n1.Cc1cccnc1C.Cc1ccnc(C)c1.Cc1ccncc1C.Cc1cncc(C)c1
InChIInChI=1S/C29H26.C27H24.C15H12O.6C7H9N/c1-19-5-11-23(12-6-19)29(24-13-7-20(2)8-14-24)27-17-21(3)9-15-25(27)26-16-10-22(4)18-28(26)29;1-21-13-17-25(18-14-21)27(23-9-5-3-6-10-23,24-11-7-4-8-12-24)26-19-15-22(2)16-20-26;1-9-3-5-11-12-6-4-10(2)8-14(12)15(16)13(11)7-9;1-6-3-7(2)5-8-4-6;1-6-3-4-8-5-7(6)2;1-6-3-4-8-7(2)5-6;1-6-3-4-7(2)8-5-6;1-6-4-3-5-8-7(6)2;1-6-4-3-5-7(2)8-6/h5-18H,1-4H3;3-20H,1-2H3;3-8H,1-2H3;6*3-5H,1-2H3
InChIKeyBNQWFFJOYCDJRE-UHFFFAOYSA-N
XLogP27.67
TPSA94.41 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms120
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001574.21
LogP ≤ 527.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2,7-dimethylfluoren-9-one;2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine;1-methyl-4-[(4-methylphenyl)-diphenylmethyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2,7-dimethylfluoren-9-one;2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine;1-methyl-4-[(4-methylphenyl)-diphenylmethyl]benzene?
The IUPAC name of 2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2,7-dimethylfluoren-9-one;2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine;1-methyl-4-[(4-methylphenyl)-diphenylmethyl]benzene (CID 157405437) is 2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2,7-dimethylfluoren-9-one;2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine;1-methyl-4-[(4-methylphenyl)-diphenylmethyl]benzene.
What is the SMILES notation for 2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2,7-dimethylfluoren-9-one;2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine;1-methyl-4-[(4-methylphenyl)-diphenylmethyl]benzene?
The canonical SMILES for 2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2,7-dimethylfluoren-9-one;2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine;1-methyl-4-[(4-methylphenyl)-diphenylmethyl]benzene is Cc1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(C)cc2)cc1.Cc1ccc(C)nc1.Cc1ccc(C2(c3ccc(C)cc3)c3cc(C)ccc3-c3ccc(C)cc32)cc1.Cc1ccc2c(c1)C(=O)c1cc(C)ccc1-2.Cc1cccc(C)n1.Cc1cccnc1C.Cc1ccnc(C)c1.Cc1ccncc1C.Cc1cncc(C)c1.
What is the InChIKey of 2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2,7-dimethylfluoren-9-one;2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine;1-methyl-4-[(4-methylphenyl)-diphenylmethyl]benzene?
The InChIKey is BNQWFFJOYCDJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26.C27H24.C15H12O.6C7H9N/c1-19-5-11-23(12-6-19)29(24-13-7-20(2)8-14-24)27-17-21(3)9-15-25(27)26-16-10-22(4)18-28(26)29;1-21-13-17-25(18-14-21)27(23-9-5-3-6-10-23,24-11-7-4-8-12-24)26-19-15-22(2)16-20-26;1-9-3-5-11-12-6-4-10(2)8-14(12)15(16)13(11)7-9;1-6-3-7(2)5-8-4-6;1-6-3-4-8-5-7(6)2;1-6-3-4-8-7(2)5-6;1-6-3-4-7(2)8-5-6;1-6-4-3-5-8-7(6)2;1-6-4-3-5-7(2)8-6/h5-18H,1-4H3;3-20H,1-2H3;3-8H,1-2H3;6*3-5H,1-2H3.
What are the key properties of 2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2,7-dimethylfluoren-9-one;2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine;1-methyl-4-[(4-methylphenyl)-diphenylmethyl]benzene?
2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2,7-dimethylfluoren-9-one;2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine;1-methyl-4-[(4-methylphenyl)-diphenylmethyl]benzene has a molecular weight of 1574.21 g/mol, XLogP of 27.67, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2,7-dimethylfluoren-9-one;2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine;1-methyl-4-[(4-methylphenyl)-diphenylmethyl]benzene is sourced from PubChem (CID 157405437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).