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

C58H43N — CID 118146179

IUPACN-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C58H43N/c1-57(2)51-29-15-12-25-46(51)47-38-37-45(39-54(47)57)59(44-35-33-41(34-36-44)40-19-6-3-7-20-40)55-32-17-14-26-48(55)49-28-18-31-53-56(49)50-27-13-16-30-52(50)58(53,42-21-8-4-9-22-42)43-23-10-5-11-24-43/h3-39H,1-2H3
InChIKeyYPAYPCILAPMEJG-UHFFFAOYSA-N
MW753.99 g/mol
LogP15.16
Rot. Bonds7

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

N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 118146179) has the molecular formula C58H43N and a molecular weight of 753.99 g/mol. Its IUPAC name is N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID118146179
Molecular FormulaC58H43N
Molecular Weight753.99 g/mol
Exact Mass753.34
IUPAC NameN-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C58H43N/c1-57(2)51-29-15-12-25-46(51)47-38-37-45(39-54(47)57)59(44-35-33-41(34-36-44)40-19-6-3-7-20-40)55-32-17-14-26-48(55)49-28-18-31-53-56(49)50-27-13-16-30-52(50)58(53,42-21-8-4-9-22-42)43-23-10-5-11-24-43/h3-39H,1-2H3
InChIKeyYPAYPCILAPMEJG-UHFFFAOYSA-N
XLogP15.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.99
LogP ≤ 515.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (CID 118146179) is N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is YPAYPCILAPMEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H43N/c1-57(2)51-29-15-12-25-46(51)47-38-37-45(39-54(47)57)59(44-35-33-41(34-36-44)40-19-6-3-7-20-40)55-32-17-14-26-48(55)49-28-18-31-53-56(49)50-27-13-16-30-52(50)58(53,42-21-8-4-9-22-42)43-23-10-5-11-24-43/h3-39H,1-2H3.
What are the key properties of N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 753.99 g/mol, XLogP of 15.16, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 118146179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).