9,9-dimethyl-N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-3'-amine

C56H41N — CID 167177545

IUPAC9,9-dimethyl-N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-3'-amine
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3cc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccc5ccccc5c4)ccc32)c2ccccc21
InChIInChI=1S/C56H41N/c1-55(2)51-20-10-12-22-53(51)56(54-23-13-11-21-52(54)55)49-19-9-8-18-47(49)48-37-46(34-35-50(48)56)57(45-33-30-39-16-6-7-17-43(39)36-45)44-31-28-42(29-32-44)41-26-24-40(25-27-41)38-14-4-3-5-15-38/h3-37H,1-2H3
InChIKeyUFRSNLGMXLNWLA-UHFFFAOYSA-N
MW727.95 g/mol
LogP14.65
Rot. Bonds5

About 9,9-dimethyl-N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-3'-amine

9,9-dimethyl-N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-3'-amine (PubChem CID 167177545) has the molecular formula C56H41N and a molecular weight of 727.95 g/mol. Its IUPAC name is 9,9-dimethyl-N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-3'-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-3'-amine
PubChem CID167177545
Molecular FormulaC56H41N
Molecular Weight727.95 g/mol
Exact Mass727.32
IUPAC Name9,9-dimethyl-N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-3'-amine
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3cc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccc5ccccc5c4)ccc32)c2ccccc21
InChIInChI=1S/C56H41N/c1-55(2)51-20-10-12-22-53(51)56(54-23-13-11-21-52(54)55)49-19-9-8-18-47(49)48-37-46(34-35-50(48)56)57(45-33-30-39-16-6-7-17-43(39)36-45)44-31-28-42(29-32-44)41-26-24-40(25-27-41)38-14-4-3-5-15-38/h3-37H,1-2H3
InChIKeyUFRSNLGMXLNWLA-UHFFFAOYSA-N
XLogP14.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.95
LogP ≤ 514.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine;N-(4-naphthalen-2-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine
CID 159388260
9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine
CID 142480942
4-N-(9,9-dimethylfluoren-2-yl)-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-1-N-phenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 138667384
N-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 146247595
N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-7-naphthalen-2-yl-N-(4-phenylphenyl)fluoren-2-amine
CID 126548455
9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-3-amine
CID 121285785
3-N,3-N,3-N',3-N'-tetrakis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine
CID 167236339
N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 166663855
N-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine;4-[3-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-N,N-diphenylaniline
CID 160667042
2-N-(9,9-dimethylfluoren-3-yl)-3'-naphthalen-2-yl-2-N,2-N',2-N',3-tetraphenyl-9,9'-spirobi[fluorene]-2,2'-diamine
CID 168791686
N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 130462501
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 130462474

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-3'-amine?
The IUPAC name of 9,9-dimethyl-N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-3'-amine (CID 167177545) is 9,9-dimethyl-N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-3'-amine.
What is the SMILES notation for 9,9-dimethyl-N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-3'-amine?
The canonical SMILES for 9,9-dimethyl-N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-3'-amine is CC1(C)c2ccccc2C2(c3ccccc3-c3cc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccc5ccccc5c4)ccc32)c2ccccc21.
What is the InChIKey of 9,9-dimethyl-N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-3'-amine?
The InChIKey is UFRSNLGMXLNWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H41N/c1-55(2)51-20-10-12-22-53(51)56(54-23-13-11-21-52(54)55)49-19-9-8-18-47(49)48-37-46(34-35-50(48)56)57(45-33-30-39-16-6-7-17-43(39)36-45)44-31-28-42(29-32-44)41-26-24-40(25-27-41)38-14-4-3-5-15-38/h3-37H,1-2H3.
What are the key properties of 9,9-dimethyl-N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-3'-amine?
9,9-dimethyl-N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-3'-amine has a molecular weight of 727.95 g/mol, XLogP of 14.65, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-3'-amine is sourced from PubChem (CID 167177545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).