9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine

C33H27N — CID 59357506

IUPAC9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(Nc3ccc(-c4cccc(-c5ccccc5)c4)cc3)cc21
InChIInChI=1S/C33H27N/c1-33(2)31-14-7-6-13-29(31)30-20-19-28(22-32(30)33)34-27-17-15-24(16-18-27)26-12-8-11-25(21-26)23-9-4-3-5-10-23/h3-22,34H,1-2H3
InChIKeyCMIOWXDGBKKHBO-UHFFFAOYSA-N
MW437.59 g/mol
LogP9.07
Rot. Bonds4

About 9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine

9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine (PubChem CID 59357506) has the molecular formula C33H27N and a molecular weight of 437.59 g/mol. Its IUPAC name is 9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
PubChem CID59357506
Molecular FormulaC33H27N
Molecular Weight437.59 g/mol
Exact Mass437.21
IUPAC Name9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(Nc3ccc(-c4cccc(-c5ccccc5)c4)cc3)cc21
InChIInChI=1S/C33H27N/c1-33(2)31-14-7-6-13-29(31)30-20-19-28(22-32(30)33)34-27-17-15-24(16-18-27)26-12-8-11-25(21-26)23-9-4-3-5-10-23/h3-22,34H,1-2H3
InChIKeyCMIOWXDGBKKHBO-UHFFFAOYSA-N
XLogP9.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms34
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.59
LogP ≤ 59.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine (CID 59357506) is 9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(Nc3ccc(-c4cccc(-c5ccccc5)c4)cc3)cc21.
What is the InChIKey of 9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine?
The InChIKey is CMIOWXDGBKKHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27N/c1-33(2)31-14-7-6-13-29(31)30-20-19-28(22-32(30)33)34-27-17-15-24(16-18-27)26-12-8-11-25(21-26)23-9-4-3-5-10-23/h3-22,34H,1-2H3.
What are the key properties of 9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine?
9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine has a molecular weight of 437.59 g/mol, XLogP of 9.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine is sourced from PubChem (CID 59357506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).