N-[4-[4-(9,9-dimethylspiro[4a,9a-dihydroanthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine

C56H43N — CID 146247471

IUPACN-[4-[4-(9,9-dimethylspiro[4a,9a-dihydroanthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6cccc7ccccc67)cc5)cc4)cc32)C2C=CC=CC21
InChIInChI=1S/C56H43N/c1-55(2)49-22-10-12-24-51(49)56(52-25-13-11-23-50(52)55)48-21-9-8-20-46(48)47-36-33-42(37-53(47)56)40-29-27-38(28-30-40)39-31-34-44(35-32-39)57(43-17-4-3-5-18-43)54-26-14-16-41-15-6-7-19-45(41)54/h3-37,49,51H,1-2H3
InChIKeyIKKPMYAUTCXUOR-UHFFFAOYSA-N
MW729.97 g/mol
LogP14.61
Rot. Bonds5

About N-[4-[4-(9,9-dimethylspiro[4a,9a-dihydroanthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine

N-[4-[4-(9,9-dimethylspiro[4a,9a-dihydroanthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine (PubChem CID 146247471) has the molecular formula C56H43N and a molecular weight of 729.97 g/mol. Its IUPAC name is N-[4-[4-(9,9-dimethylspiro[4a,9a-dihydroanthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[4-[4-(9,9-dimethylspiro[4a,9a-dihydroanthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
PubChem CID146247471
Molecular FormulaC56H43N
Molecular Weight729.97 g/mol
Exact Mass729.34
IUPAC NameN-[4-[4-(9,9-dimethylspiro[4a,9a-dihydroanthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6cccc7ccccc67)cc5)cc4)cc32)C2C=CC=CC21
InChIInChI=1S/C56H43N/c1-55(2)49-22-10-12-24-51(49)56(52-25-13-11-23-50(52)55)48-21-9-8-20-46(48)47-36-33-42(37-53(47)56)40-29-27-38(28-30-40)39-31-34-44(35-32-39)57(43-17-4-3-5-18-43)54-26-14-16-41-15-6-7-19-45(41)54/h3-37,49,51H,1-2H3
InChIKeyIKKPMYAUTCXUOR-UHFFFAOYSA-N
XLogP14.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.97
LogP ≤ 514.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-N-naphthalen-1-yl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118245872
9,9-dimethyl-N-[4-[4-[N-naphthalen-1-yl-4-(3-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;N-[4-(3-phenylphenyl)phenyl]-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine
CID 158708214
1-N-(9,9-dimethylfluoren-2-yl)-4-N-naphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 59025130
N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;2,4,6-tris(9,9-dimethylfluoren-2-yl)-1,3,5-triazine
CID 161179044
N-[4-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 156664766
9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]fluorene-2,7-diamine
CID 58713802
N-phenyl-N-(4-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-ylphenyl)naphthalen-1-amine
CID 134215984
N-[4-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]fluoren-2-amine;N-[4-[4-(N-(4-naphthalen-2-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;2-N,2-N,7-N,7-N-tetrakis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluorene-2,7-diamine
CID 162201655
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 168790736
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 167324461
N-[3-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;N-phenyl-N-[4-[4-(N-triphenylen-2-ylanilino)phenyl]phenyl]triphenylen-2-amine
CID 165054985
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]fluoren-2-amine
CID 89067766

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(9,9-dimethylspiro[4a,9a-dihydroanthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine?
The IUPAC name of N-[4-[4-(9,9-dimethylspiro[4a,9a-dihydroanthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine (CID 146247471) is N-[4-[4-(9,9-dimethylspiro[4a,9a-dihydroanthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine.
What is the SMILES notation for N-[4-[4-(9,9-dimethylspiro[4a,9a-dihydroanthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine?
The canonical SMILES for N-[4-[4-(9,9-dimethylspiro[4a,9a-dihydroanthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine is CC1(C)c2ccccc2C2(c3ccccc3-c3ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6cccc7ccccc67)cc5)cc4)cc32)C2C=CC=CC21.
What is the InChIKey of N-[4-[4-(9,9-dimethylspiro[4a,9a-dihydroanthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine?
The InChIKey is IKKPMYAUTCXUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H43N/c1-55(2)49-22-10-12-24-51(49)56(52-25-13-11-23-50(52)55)48-21-9-8-20-46(48)47-36-33-42(37-53(47)56)40-29-27-38(28-30-40)39-31-34-44(35-32-39)57(43-17-4-3-5-18-43)54-26-14-16-41-15-6-7-19-45(41)54/h3-37,49,51H,1-2H3.
What are the key properties of N-[4-[4-(9,9-dimethylspiro[4a,9a-dihydroanthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine?
N-[4-[4-(9,9-dimethylspiro[4a,9a-dihydroanthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine has a molecular weight of 729.97 g/mol, XLogP of 14.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(9,9-dimethylspiro[4a,9a-dihydroanthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 146247471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).