4-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N,N-diphenylaniline

C58H43N — CID 146247412

IUPAC4-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N,N-diphenylaniline
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3ccc(-c4cccc(-c5cccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)c5)c4)cc32)c2ccccc21
InChIInChI=1S/C58H43N/c1-57(2)52-27-11-13-29-54(52)58(55-30-14-12-28-53(55)57)51-26-10-9-25-49(51)50-36-33-45(39-56(50)58)44-20-16-19-43(38-44)42-18-15-17-41(37-42)40-31-34-48(35-32-40)59(46-21-5-3-6-22-46)47-23-7-4-8-24-47/h3-39H,1-2H3
InChIKeyVSABGJJABPUQIN-UHFFFAOYSA-N
MW753.99 g/mol
LogP15.16
Rot. Bonds6

About 4-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N,N-diphenylaniline

4-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N,N-diphenylaniline (PubChem CID 146247412) has the molecular formula C58H43N and a molecular weight of 753.99 g/mol. Its IUPAC name is 4-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N,N-diphenylaniline
PubChem CID146247412
Molecular FormulaC58H43N
Molecular Weight753.99 g/mol
Exact Mass753.34
IUPAC Name4-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N,N-diphenylaniline
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3ccc(-c4cccc(-c5cccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)c5)c4)cc32)c2ccccc21
InChIInChI=1S/C58H43N/c1-57(2)52-27-11-13-29-54(52)58(55-30-14-12-28-53(55)57)51-26-10-9-25-49(51)50-36-33-45(39-56(50)58)44-20-16-19-43(38-44)42-18-15-17-41(37-42)40-31-34-48(35-32-40)59(46-21-5-3-6-22-46)47-23-7-4-8-24-47/h3-39H,1-2H3
InChIKeyVSABGJJABPUQIN-UHFFFAOYSA-N
XLogP15.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
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

9,9-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine;9,9-dimethyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine;9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
CID 158705063
N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
CID 142481404
N-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 146247503
N,4-diphenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 122452266
CID 167176882
CID 167176882
N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 161087354
N-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 146247595
N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 118298482
3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 167176335
3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-N-phenyl-N-[3-(3-phenylphenyl)phenyl]aniline
CID 167176479
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 146247632
N-(9,9-dimethylfluoren-3-yl)-N-[3-[3-(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 134508270

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N,N-diphenylaniline?
The IUPAC name of 4-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N,N-diphenylaniline (CID 146247412) is 4-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N,N-diphenylaniline?
The canonical SMILES for 4-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N,N-diphenylaniline is CC1(C)c2ccccc2C2(c3ccccc3-c3ccc(-c4cccc(-c5cccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)c5)c4)cc32)c2ccccc21.
What is the InChIKey of 4-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N,N-diphenylaniline?
The InChIKey is VSABGJJABPUQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H43N/c1-57(2)52-27-11-13-29-54(52)58(55-30-14-12-28-53(55)57)51-26-10-9-25-49(51)50-36-33-45(39-56(50)58)44-20-16-19-43(38-44)42-18-15-17-41(37-42)40-31-34-48(35-32-40)59(46-21-5-3-6-22-46)47-23-7-4-8-24-47/h3-39H,1-2H3.
What are the key properties of 4-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N,N-diphenylaniline?
4-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N,N-diphenylaniline has a molecular weight of 753.99 g/mol, XLogP of 15.16, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N,N-diphenylaniline is sourced from PubChem (CID 146247412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).