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

C58H43N — CID 122607124

IUPACN-[3-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c3)c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C58H43N/c1-57(2)51-32-15-12-29-48(51)49-37-36-45(39-54(49)57)59(55-35-17-14-28-46(55)40-20-6-3-7-21-40)44-27-18-22-41(38-44)47-31-19-34-53-56(47)50-30-13-16-33-52(50)58(53,42-23-8-4-9-24-42)43-25-10-5-11-26-43/h3-39H,1-2H3
InChIKeyVORHIPJNARYZOH-UHFFFAOYSA-N
MW753.99 g/mol
LogP15.16
Rot. Bonds7

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

N-[3-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine (PubChem CID 122607124) has the molecular formula C58H43N and a molecular weight of 753.99 g/mol. Its IUPAC name is N-[3-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[3-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
PubChem CID122607124
Molecular FormulaC58H43N
Molecular Weight753.99 g/mol
Exact Mass753.34
IUPAC NameN-[3-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c3)c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C58H43N/c1-57(2)51-32-15-12-29-48(51)49-37-36-45(39-54(49)57)59(55-35-17-14-28-46(55)40-20-6-3-7-21-40)44-27-18-22-41(38-44)47-31-19-34-53-56(47)50-30-13-16-33-52(50)58(53,42-23-8-4-9-24-42)43-25-10-5-11-26-43/h3-39H,1-2H3
InChIKeyVORHIPJNARYZOH-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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Related Compounds

N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 126548400
N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[2-(3-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[3-(2-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 158254374
N,N-bis[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylaniline
CID 162510727
N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[3-(9-methyl-9-phenylfluoren-4-yl)phenyl]fluoren-2-amine
CID 135193193
N-(9,9-dimethylfluoren-2-yl)-4'-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258991
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 146247477
N-(9,9-dimethylfluoren-4-yl)-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine
CID 121285745
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-(2-phenylphenyl)fluoren-2-amine
CID 171453157
N-(9,9-dimethylfluoren-2-yl)-2,5'-diphenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 154588633
9,9-dimethyl-N-(2-phenylphenyl)-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]fluoren-2-amine
CID 176846292
N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-diphenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-3-amine
CID 168790722
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-4-amine
CID 118146121

Frequently Asked Questions

What is the IUPAC name of N-[3-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine?
The IUPAC name of N-[3-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine (CID 122607124) is N-[3-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-[3-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-[3-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c3)c3ccccc3-c3ccccc3)cc21.
What is the InChIKey of N-[3-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine?
The InChIKey is VORHIPJNARYZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H43N/c1-57(2)51-32-15-12-29-48(51)49-37-36-45(39-54(49)57)59(55-35-17-14-28-46(55)40-20-6-3-7-21-40)44-27-18-22-41(38-44)47-31-19-34-53-56(47)50-30-13-16-33-52(50)58(53,42-23-8-4-9-24-42)43-25-10-5-11-26-43/h3-39H,1-2H3.
What are the key properties of N-[3-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine?
N-[3-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(2-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-[3-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 122607124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).