3-methyl-N-phenyl-5-(9-phenylfluoren-9-yl)aniline

C32H25N — CID 129026642

IUPAC3-methyl-N-phenyl-5-(9-phenylfluoren-9-yl)aniline
SMILESCc1cc(Nc2ccccc2)cc(C2(c3ccccc3)c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C32H25N/c1-23-20-25(22-27(21-23)33-26-14-6-3-7-15-26)32(24-12-4-2-5-13-24)30-18-10-8-16-28(30)29-17-9-11-19-31(29)32/h2-22,33H,1H3
InChIKeyUZFQTIKCSKCVEL-UHFFFAOYSA-N
MW423.56 g/mol
LogP8.10
Rot. Bonds4

About 3-methyl-N-phenyl-5-(9-phenylfluoren-9-yl)aniline

3-methyl-N-phenyl-5-(9-phenylfluoren-9-yl)aniline (PubChem CID 129026642) has the molecular formula C32H25N and a molecular weight of 423.56 g/mol. Its IUPAC name is 3-methyl-N-phenyl-5-(9-phenylfluoren-9-yl)aniline.

Molecular Properties

Compound Name3-methyl-N-phenyl-5-(9-phenylfluoren-9-yl)aniline
PubChem CID129026642
Molecular FormulaC32H25N
Molecular Weight423.56 g/mol
Exact Mass423.20
IUPAC Name3-methyl-N-phenyl-5-(9-phenylfluoren-9-yl)aniline
SMILESCc1cc(Nc2ccccc2)cc(C2(c3ccccc3)c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C32H25N/c1-23-20-25(22-27(21-23)33-26-14-6-3-7-15-26)32(24-12-4-2-5-13-24)30-18-10-8-16-28(30)29-17-9-11-19-31(29)32/h2-22,33H,1H3
InChIKeyUZFQTIKCSKCVEL-UHFFFAOYSA-N
XLogP8.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.56
LogP ≤ 58.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-N-(9,9-diphenylfluoren-2-yl)-1-N-(3-methylphenyl)-5-phenylbenzene-1,3-diamine
CID 139380106
N-[3-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 138519337
methane;2-methyl-9,9-diphenylfluorene
CID 144583572
N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine
CID 121423904
9,9-diphenylfluorene;methane
CID 145331804
9,9-diphenylfluorene;methane
CID 145140147
N-phenyl-2-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 165158428
9-[3,5-bis(3-phenylphenyl)phenyl]-9-(3-methyl-5-phenylphenyl)fluorene
CID 171757298
9,9-diphenylfluorene;propane
CID 158205050
9,9-diphenylfluorene;methoxymethane
CID 143139467
2,4-dimethyl-9,9-diphenylfluorene
CID 144876512
4-phenyl-N-[4-[2-(9-phenylfluoren-9-yl)phenyl]phenyl]aniline
CID 165158405

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-phenyl-5-(9-phenylfluoren-9-yl)aniline?
The IUPAC name of 3-methyl-N-phenyl-5-(9-phenylfluoren-9-yl)aniline (CID 129026642) is 3-methyl-N-phenyl-5-(9-phenylfluoren-9-yl)aniline.
What is the SMILES notation for 3-methyl-N-phenyl-5-(9-phenylfluoren-9-yl)aniline?
The canonical SMILES for 3-methyl-N-phenyl-5-(9-phenylfluoren-9-yl)aniline is Cc1cc(Nc2ccccc2)cc(C2(c3ccccc3)c3ccccc3-c3ccccc32)c1.
What is the InChIKey of 3-methyl-N-phenyl-5-(9-phenylfluoren-9-yl)aniline?
The InChIKey is UZFQTIKCSKCVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25N/c1-23-20-25(22-27(21-23)33-26-14-6-3-7-15-26)32(24-12-4-2-5-13-24)30-18-10-8-16-28(30)29-17-9-11-19-31(29)32/h2-22,33H,1H3.
What are the key properties of 3-methyl-N-phenyl-5-(9-phenylfluoren-9-yl)aniline?
3-methyl-N-phenyl-5-(9-phenylfluoren-9-yl)aniline has a molecular weight of 423.56 g/mol, XLogP of 8.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-phenyl-5-(9-phenylfluoren-9-yl)aniline is sourced from PubChem (CID 129026642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).