3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-N-phenyl-N-[3-(3-phenylphenyl)phenyl]aniline

C58H43N — CID 167176479

IUPAC3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-N-phenyl-N-[3-(3-phenylphenyl)phenyl]aniline
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3cc(-c4cccc(N(c5ccccc5)c5cccc(-c6cccc(-c7ccccc7)c6)c5)c4)ccc32)c2ccccc21
InChIInChI=1S/C58H43N/c1-57(2)53-30-11-13-32-55(53)58(56-33-14-12-31-54(56)57)51-29-10-9-28-49(51)50-39-45(34-35-52(50)58)44-23-17-27-48(38-44)59(46-24-7-4-8-25-46)47-26-16-22-43(37-47)42-21-15-20-41(36-42)40-18-5-3-6-19-40/h3-39H,1-2H3
InChIKeyJOHIDGUTWRBXFM-UHFFFAOYSA-N
MW753.99 g/mol
LogP15.16
Rot. Bonds6

About 3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-N-phenyl-N-[3-(3-phenylphenyl)phenyl]aniline

3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-N-phenyl-N-[3-(3-phenylphenyl)phenyl]aniline (PubChem CID 167176479) has the molecular formula C58H43N and a molecular weight of 753.99 g/mol. Its IUPAC name is 3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-N-phenyl-N-[3-(3-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound Name3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-N-phenyl-N-[3-(3-phenylphenyl)phenyl]aniline
PubChem CID167176479
Molecular FormulaC58H43N
Molecular Weight753.99 g/mol
Exact Mass753.34
IUPAC Name3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-N-phenyl-N-[3-(3-phenylphenyl)phenyl]aniline
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3cc(-c4cccc(N(c5ccccc5)c5cccc(-c6cccc(-c7ccccc7)c6)c5)c4)ccc32)c2ccccc21
InChIInChI=1S/C58H43N/c1-57(2)53-30-11-13-32-55(53)58(56-33-14-12-31-54(56)57)51-29-10-9-28-49(51)50-39-45(34-35-52(50)58)44-23-17-27-48(38-44)59(46-24-7-4-8-25-46)47-26-16-22-43(37-47)42-21-15-20-41(36-42)40-18-5-3-6-19-40/h3-39H,1-2H3
InChIKeyJOHIDGUTWRBXFM-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-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine
CID 142480942
3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 167176335
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-(9,9-dimethylfluoren-3-yl)-N-[3-[3-(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 134508270
CID 167176882
CID 167176882
4-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N,N-diphenylaniline
CID 146247412
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 138498501
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
3-N-phenyl-3-N,3-N',3-N'-tris(3-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine
CID 167177981
N,N-bis[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 168750058
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

Frequently Asked Questions

What is the IUPAC name of 3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-N-phenyl-N-[3-(3-phenylphenyl)phenyl]aniline?
The IUPAC name of 3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-N-phenyl-N-[3-(3-phenylphenyl)phenyl]aniline (CID 167176479) is 3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-N-phenyl-N-[3-(3-phenylphenyl)phenyl]aniline.
What is the SMILES notation for 3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-N-phenyl-N-[3-(3-phenylphenyl)phenyl]aniline?
The canonical SMILES for 3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-N-phenyl-N-[3-(3-phenylphenyl)phenyl]aniline is CC1(C)c2ccccc2C2(c3ccccc3-c3cc(-c4cccc(N(c5ccccc5)c5cccc(-c6cccc(-c7ccccc7)c6)c5)c4)ccc32)c2ccccc21.
What is the InChIKey of 3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-N-phenyl-N-[3-(3-phenylphenyl)phenyl]aniline?
The InChIKey is JOHIDGUTWRBXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H43N/c1-57(2)53-30-11-13-32-55(53)58(56-33-14-12-31-54(56)57)51-29-10-9-28-49(51)50-39-45(34-35-52(50)58)44-23-17-27-48(38-44)59(46-24-7-4-8-25-46)47-26-16-22-43(37-47)42-21-15-20-41(36-42)40-18-5-3-6-19-40/h3-39H,1-2H3.
What are the key properties of 3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-N-phenyl-N-[3-(3-phenylphenyl)phenyl]aniline?
3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-N-phenyl-N-[3-(3-phenylphenyl)phenyl]aniline 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 3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-N-phenyl-N-[3-(3-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 167176479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).