9-methyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9-phenyl-N-[2-(3-phenylphenyl)phenyl]fluoren-4-amine

C60H43N — CID 169020008

IUPAC9-methyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9-phenyl-N-[2-(3-phenylphenyl)phenyl]fluoren-4-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2c(N(c3ccc(-c4ccc(-c5ccc6ccccc6c5)cc4)cc3)c3ccccc3-c3cccc(-c4ccccc4)c3)cccc21
InChIInChI=1S/C60H43N/c1-60(51-22-6-3-7-23-51)55-26-12-10-25-54(55)59-56(60)27-15-29-58(59)61(57-28-13-11-24-53(57)50-21-14-20-48(41-50)42-16-4-2-5-17-42)52-38-36-45(37-39-52)44-30-32-46(33-31-44)49-35-34-43-18-8-9-19-47(43)40-49/h2-41H,1H3
InChIKeyVDYVQGONCUSERY-UHFFFAOYSA-N
MW778.01 g/mol
LogP16.31
Rot. Bonds8

About 9-methyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9-phenyl-N-[2-(3-phenylphenyl)phenyl]fluoren-4-amine

9-methyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9-phenyl-N-[2-(3-phenylphenyl)phenyl]fluoren-4-amine (PubChem CID 169020008) has the molecular formula C60H43N and a molecular weight of 778.01 g/mol. Its IUPAC name is 9-methyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9-phenyl-N-[2-(3-phenylphenyl)phenyl]fluoren-4-amine.

Molecular Properties

Compound Name9-methyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9-phenyl-N-[2-(3-phenylphenyl)phenyl]fluoren-4-amine
PubChem CID169020008
Molecular FormulaC60H43N
Molecular Weight778.01 g/mol
Exact Mass777.34
IUPAC Name9-methyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9-phenyl-N-[2-(3-phenylphenyl)phenyl]fluoren-4-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2c(N(c3ccc(-c4ccc(-c5ccc6ccccc6c5)cc4)cc3)c3ccccc3-c3cccc(-c4ccccc4)c3)cccc21
InChIInChI=1S/C60H43N/c1-60(51-22-6-3-7-23-51)55-26-12-10-25-54(55)59-56(60)27-15-29-58(59)61(57-28-13-11-24-53(57)50-21-14-20-48(41-50)42-16-4-2-5-17-42)52-38-36-45(37-39-52)44-30-32-46(33-31-44)49-35-34-43-18-8-9-19-47(43)40-49/h2-41H,1H3
InChIKeyVDYVQGONCUSERY-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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Frequently Asked Questions

What is the IUPAC name of 9-methyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9-phenyl-N-[2-(3-phenylphenyl)phenyl]fluoren-4-amine?
The IUPAC name of 9-methyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9-phenyl-N-[2-(3-phenylphenyl)phenyl]fluoren-4-amine (CID 169020008) is 9-methyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9-phenyl-N-[2-(3-phenylphenyl)phenyl]fluoren-4-amine.
What is the SMILES notation for 9-methyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9-phenyl-N-[2-(3-phenylphenyl)phenyl]fluoren-4-amine?
The canonical SMILES for 9-methyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9-phenyl-N-[2-(3-phenylphenyl)phenyl]fluoren-4-amine is CC1(c2ccccc2)c2ccccc2-c2c(N(c3ccc(-c4ccc(-c5ccc6ccccc6c5)cc4)cc3)c3ccccc3-c3cccc(-c4ccccc4)c3)cccc21.
What is the InChIKey of 9-methyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9-phenyl-N-[2-(3-phenylphenyl)phenyl]fluoren-4-amine?
The InChIKey is VDYVQGONCUSERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H43N/c1-60(51-22-6-3-7-23-51)55-26-12-10-25-54(55)59-56(60)27-15-29-58(59)61(57-28-13-11-24-53(57)50-21-14-20-48(41-50)42-16-4-2-5-17-42)52-38-36-45(37-39-52)44-30-32-46(33-31-44)49-35-34-43-18-8-9-19-47(43)40-49/h2-41H,1H3.
What are the key properties of 9-methyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9-phenyl-N-[2-(3-phenylphenyl)phenyl]fluoren-4-amine?
9-methyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9-phenyl-N-[2-(3-phenylphenyl)phenyl]fluoren-4-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-[4-(4-naphthalen-2-ylphenyl)phenyl]-9-phenyl-N-[2-(3-phenylphenyl)phenyl]fluoren-4-amine is sourced from PubChem (CID 169020008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).