N,9,9-trimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine

C34H29N — CID 166028521

IUPACN,9,9-trimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
SMILESCN(c1ccc(-c2ccc(-c3ccccc3)cc2)cc1)c1cccc2c1-c1ccccc1C2(C)C
InChIInChI=1S/C34H29N/c1-34(2)30-13-8-7-12-29(30)33-31(34)14-9-15-32(33)35(3)28-22-20-27(21-23-28)26-18-16-25(17-19-26)24-10-5-4-6-11-24/h4-23H,1-3H3
InChIKeyFMFILPULNMYALB-UHFFFAOYSA-N
MW451.61 g/mol
LogP9.09
Rot. Bonds4

About N,9,9-trimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine

N,9,9-trimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine (PubChem CID 166028521) has the molecular formula C34H29N and a molecular weight of 451.61 g/mol. Its IUPAC name is N,9,9-trimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine.

Molecular Properties

Compound NameN,9,9-trimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
PubChem CID166028521
Molecular FormulaC34H29N
Molecular Weight451.61 g/mol
Exact Mass451.23
IUPAC NameN,9,9-trimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
SMILESCN(c1ccc(-c2ccc(-c3ccccc3)cc2)cc1)c1cccc2c1-c1ccccc1C2(C)C
InChIInChI=1S/C34H29N/c1-34(2)30-13-8-7-12-29(30)33-31(34)14-9-15-32(33)35(3)28-22-20-27(21-23-28)26-18-16-25(17-19-26)24-10-5-4-6-11-24/h4-23H,1-3H3
InChIKeyFMFILPULNMYALB-UHFFFAOYSA-N
XLogP9.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms35
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.61
LogP ≤ 59.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,9,9-trimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine?
The IUPAC name of N,9,9-trimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine (CID 166028521) is N,9,9-trimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine.
What is the SMILES notation for N,9,9-trimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine?
The canonical SMILES for N,9,9-trimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine is CN(c1ccc(-c2ccc(-c3ccccc3)cc2)cc1)c1cccc2c1-c1ccccc1C2(C)C.
What is the InChIKey of N,9,9-trimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine?
The InChIKey is FMFILPULNMYALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29N/c1-34(2)30-13-8-7-12-29(30)33-31(34)14-9-15-32(33)35(3)28-22-20-27(21-23-28)26-18-16-25(17-19-26)24-10-5-4-6-11-24/h4-23H,1-3H3.
What are the key properties of N,9,9-trimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine?
N,9,9-trimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine has a molecular weight of 451.61 g/mol, XLogP of 9.09, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,9,9-trimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine is sourced from PubChem (CID 166028521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).