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

C46H35N — CID 142480942

IUPAC9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)ccc32)c2ccccc21
InChIInChI=1S/C46H35N/c1-45(2)41-21-11-13-23-43(41)46(44-24-14-12-22-42(44)45)39-20-10-9-19-37(39)38-31-36(29-30-40(38)46)47(34-17-7-4-8-18-34)35-27-25-33(26-28-35)32-15-5-3-6-16-32/h3-31H,1-2H3
InChIKeyZIJXAQXJRVUGBG-UHFFFAOYSA-N
MW601.79 g/mol
LogP11.83
Rot. Bonds4

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

9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine (PubChem CID 142480942) 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]-3'-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine
PubChem CID142480942
Molecular FormulaC46H35N
Molecular Weight601.79 g/mol
Exact Mass601.28
IUPAC Name9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)ccc32)c2ccccc21
InChIInChI=1S/C46H35N/c1-45(2)41-21-11-13-23-43(41)46(44-24-14-12-22-42(44)45)39-20-10-9-19-37(39)38-31-36(29-30-40(38)46)47(34-17-7-4-8-18-34)35-27-25-33(26-28-35)32-15-5-3-6-16-32/h3-31H,1-2H3
InChIKeyZIJXAQXJRVUGBG-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

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
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
9,9-dimethyl-N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-3'-amine
CID 167177545
3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-N-phenyl-N-[3-(3-phenylphenyl)phenyl]aniline
CID 167176479
N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 166663855
N,9,9-triphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine
CID 146540179
3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 167176335
N-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 166663853
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

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine?
The IUPAC name of 9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine (CID 142480942) is 9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine.
What is the SMILES notation for 9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine?
The canonical SMILES for 9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine is CC1(C)c2ccccc2C2(c3ccccc3-c3cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)ccc32)c2ccccc21.
What is the InChIKey of 9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine?
The InChIKey is ZIJXAQXJRVUGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H35N/c1-45(2)41-21-11-13-23-43(41)46(44-24-14-12-22-42(44)45)39-20-10-9-19-37(39)38-31-36(29-30-40(38)46)47(34-17-7-4-8-18-34)35-27-25-33(26-28-35)32-15-5-3-6-16-32/h3-31H,1-2H3.
What are the key properties of 9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine?
9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-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]-3'-amine is sourced from PubChem (CID 142480942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).