9-methyl-N-(3-naphthalen-1-ylphenyl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine

C60H43N — CID 170115713

IUPAC9-methyl-N-(3-naphthalen-1-ylphenyl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(N(c3cccc(-c4cccc5ccccc45)c3)c3ccccc3-c3ccccc3-c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C60H43N/c1-60(45-25-6-3-7-26-45)57-36-16-14-33-54(57)55-39-38-47(41-58(55)60)61(46-27-18-24-44(40-46)50-35-19-23-43-22-8-9-28-48(43)50)59-37-17-15-34-56(59)53-32-13-12-31-52(53)51-30-11-10-29-49(51)42-20-4-2-5-21-42/h2-41H,1H3
InChIKeyHFWMXQUYAYHOMA-UHFFFAOYSA-N
MW778.01 g/mol
LogP16.31
Rot. Bonds8

About 9-methyl-N-(3-naphthalen-1-ylphenyl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine

9-methyl-N-(3-naphthalen-1-ylphenyl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine (PubChem CID 170115713) has the molecular formula C60H43N and a molecular weight of 778.01 g/mol. Its IUPAC name is 9-methyl-N-(3-naphthalen-1-ylphenyl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9-methyl-N-(3-naphthalen-1-ylphenyl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
PubChem CID170115713
Molecular FormulaC60H43N
Molecular Weight778.01 g/mol
Exact Mass777.34
IUPAC Name9-methyl-N-(3-naphthalen-1-ylphenyl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(N(c3cccc(-c4cccc5ccccc45)c3)c3ccccc3-c3ccccc3-c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C60H43N/c1-60(45-25-6-3-7-26-45)57-36-16-14-33-54(57)55-39-38-47(41-58(55)60)61(46-27-18-24-44(40-46)50-35-19-23-43-22-8-9-28-48(43)50)59-37-17-15-34-56(59)53-32-13-12-31-52(53)51-30-11-10-29-49(51)42-20-4-2-5-21-42/h2-41H,1H3
InChIKeyHFWMXQUYAYHOMA-UHFFFAOYSA-N
XLogP16.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms61
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.01
LogP ≤ 516.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 9-methyl-N-(3-naphthalen-1-ylphenyl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine?
The IUPAC name of 9-methyl-N-(3-naphthalen-1-ylphenyl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine (CID 170115713) is 9-methyl-N-(3-naphthalen-1-ylphenyl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine.
What is the SMILES notation for 9-methyl-N-(3-naphthalen-1-ylphenyl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine?
The canonical SMILES for 9-methyl-N-(3-naphthalen-1-ylphenyl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine is CC1(c2ccccc2)c2ccccc2-c2ccc(N(c3cccc(-c4cccc5ccccc45)c3)c3ccccc3-c3ccccc3-c3ccccc3-c3ccccc3)cc21.
What is the InChIKey of 9-methyl-N-(3-naphthalen-1-ylphenyl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine?
The InChIKey is HFWMXQUYAYHOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H43N/c1-60(45-25-6-3-7-26-45)57-36-16-14-33-54(57)55-39-38-47(41-58(55)60)61(46-27-18-24-44(40-46)50-35-19-23-43-22-8-9-28-48(43)50)59-37-17-15-34-56(59)53-32-13-12-31-52(53)51-30-11-10-29-49(51)42-20-4-2-5-21-42/h2-41H,1H3.
What are the key properties of 9-methyl-N-(3-naphthalen-1-ylphenyl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine?
9-methyl-N-(3-naphthalen-1-ylphenyl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine has a molecular weight of 778.01 g/mol, XLogP of 16.31, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-N-(3-naphthalen-1-ylphenyl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine is sourced from PubChem (CID 170115713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).