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

C46H35N — CID 142481112

IUPAC9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3c(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cccc32)c2ccccc21
InChIInChI=1S/C46H35N/c1-45(2)38-22-11-13-24-40(38)46(41-25-14-12-23-39(41)45)37-21-10-9-20-36(37)44-42(46)26-15-27-43(44)47(34-18-7-4-8-19-34)35-30-28-33(29-31-35)32-16-5-3-6-17-32/h3-31H,1-2H3
InChIKeyDSKWXWIFYKLWDA-UHFFFAOYSA-N
MW601.79 g/mol
LogP11.83
Rot. Bonds4

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

9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine (PubChem CID 142481112) has the molecular formula C46H35N and a molecular weight of 601.79 g/mol. Its IUPAC name is 9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
PubChem CID142481112
Molecular FormulaC46H35N
Molecular Weight601.79 g/mol
Exact Mass601.28
IUPAC Name9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3c(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cccc32)c2ccccc21
InChIInChI=1S/C46H35N/c1-45(2)38-22-11-13-24-40(38)46(41-25-14-12-23-39(41)45)37-21-10-9-20-36(37)44-42(46)26-15-27-43(44)47(34-18-7-4-8-19-34)35-30-28-33(29-31-35)32-16-5-3-6-17-32/h3-31H,1-2H3
InChIKeyDSKWXWIFYKLWDA-UHFFFAOYSA-N
XLogP11.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.79
LogP ≤ 511.83
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]-4'-amine
CID 142481166
CID 118153763
CID 118153763
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine;9,9-diphenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine
CID 161111412
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N,4'-diphenyl-9,9'-spirobi[fluorene]-4-amine
CID 129258928
4-N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 138667094
N-(4-methylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 121285757
9,9-dimethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-4-amine
CID 90294553
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129267118
N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 167177057
CID 118153721
CID 118153721
N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline;N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 157243923
N-(9,9-dimethyl-1-phenylfluoren-3-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129266411

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine?
The IUPAC name of 9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine (CID 142481112) is 9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine.
What is the SMILES notation for 9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine?
The canonical SMILES for 9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine is CC1(C)c2ccccc2C2(c3ccccc3-c3c(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cccc32)c2ccccc21.
What is the InChIKey of 9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine?
The InChIKey is DSKWXWIFYKLWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H35N/c1-45(2)38-22-11-13-24-40(38)46(41-25-14-12-23-39(41)45)37-21-10-9-20-36(37)44-42(46)26-15-27-43(44)47(34-18-7-4-8-19-34)35-30-28-33(29-31-35)32-16-5-3-6-17-32/h3-31H,1-2H3.
What are the key properties of 9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine?
9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine has a molecular weight of 601.79 g/mol, XLogP of 11.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine is sourced from PubChem (CID 142481112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).