N-phenyl-N-[3-[4-[3-(4-phenyl-N-(1,1,3,3-tetramethyl-2H-inden-5-yl)anilino)phenyl]phenyl]phenyl]naphthalen-2-amine

C59H50N2 — CID 170223052

IUPACN-phenyl-N-[3-[4-[3-(4-phenyl-N-(1,1,3,3-tetramethyl-2H-inden-5-yl)anilino)phenyl]phenyl]phenyl]naphthalen-2-amine
SMILESCC1(C)CC(C)(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4ccc(-c5cccc(N(c6ccccc6)c6ccc7ccccc7c6)c5)cc4)c3)ccc21
InChIInChI=1S/C59H50N2/c1-58(2)41-59(3,4)57-40-55(35-36-56(57)58)61(51-32-29-44(30-33-51)42-15-7-5-8-16-42)53-24-14-20-49(38-53)46-27-25-45(26-28-46)48-19-13-23-52(37-48)60(50-21-9-6-10-22-50)54-34-31-43-17-11-12-18-47(43)39-54/h5-40H,41H2,1-4H3
InChIKeyMBODNUKBRNQGIX-UHFFFAOYSA-N
MW787.06 g/mol
LogP16.74
Rot. Bonds9

About N-phenyl-N-[3-[4-[3-(4-phenyl-N-(1,1,3,3-tetramethyl-2H-inden-5-yl)anilino)phenyl]phenyl]phenyl]naphthalen-2-amine

N-phenyl-N-[3-[4-[3-(4-phenyl-N-(1,1,3,3-tetramethyl-2H-inden-5-yl)anilino)phenyl]phenyl]phenyl]naphthalen-2-amine (PubChem CID 170223052) has the molecular formula C59H50N2 and a molecular weight of 787.06 g/mol. Its IUPAC name is N-phenyl-N-[3-[4-[3-(4-phenyl-N-(1,1,3,3-tetramethyl-2H-inden-5-yl)anilino)phenyl]phenyl]phenyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-phenyl-N-[3-[4-[3-(4-phenyl-N-(1,1,3,3-tetramethyl-2H-inden-5-yl)anilino)phenyl]phenyl]phenyl]naphthalen-2-amine
PubChem CID170223052
Molecular FormulaC59H50N2
Molecular Weight787.06 g/mol
Exact Mass786.40
IUPAC NameN-phenyl-N-[3-[4-[3-(4-phenyl-N-(1,1,3,3-tetramethyl-2H-inden-5-yl)anilino)phenyl]phenyl]phenyl]naphthalen-2-amine
SMILESCC1(C)CC(C)(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4ccc(-c5cccc(N(c6ccccc6)c6ccc7ccccc7c6)c5)cc4)c3)ccc21
InChIInChI=1S/C59H50N2/c1-58(2)41-59(3,4)57-40-55(35-36-56(57)58)61(51-32-29-44(30-33-51)42-15-7-5-8-16-42)53-24-14-20-49(38-53)46-27-25-45(26-28-46)48-19-13-23-52(37-48)60(50-21-9-6-10-22-50)54-34-31-43-17-11-12-18-47(43)39-54/h5-40H,41H2,1-4H3
InChIKeyMBODNUKBRNQGIX-UHFFFAOYSA-N
XLogP16.74
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.06
LogP ≤ 516.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,5,8,8-tetramethyl-N-phenyl-N-[4-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]phenyl]-6,7-dihydronaphthalen-2-amine
CID 171735963
N-phenyl-N-[4-[4-(N-(1,1,3,3-tetramethyl-2H-inden-5-yl)anilino)phenyl]phenyl]naphthalen-1-amine
CID 170223047
N-[4-[4-[3-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 121327966
N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)aniline
CID 171735961
5,5,8,8-tetramethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydronaphthalen-2-amine
CID 171735917
3-naphthalen-2-yl-N,N-bis(4-phenylphenyl)aniline
CID 167236634
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-3-phenyl-N-(3-phenylphenyl)aniline
CID 166565645
3-naphthalen-2-yl-N-[3-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167323928
N-(3,5-diphenylphenyl)-5,5,8,8-tetramethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-6,7-dihydronaphthalen-2-amine
CID 171735973
2-N-[3-[7-[4-(N-[9,9-dimethyl-7-(N-(4-naphthalen-2-ylphenyl)anilino)fluoren-2-yl]anilino)phenyl]naphthalen-2-yl]phenyl]-2-N-[4-[4-[3-[4-[N-[9,9-dimethyl-7-(N-[4-(3-phenylphenyl)phenyl]anilino)fluoren-2-yl]-4-(3-phenylphenyl)anilino]phenyl]phenyl]phenyl]phenyl]-9,9-dimethyl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine
CID 134482074
N-[4-[4-(N-methyl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 59431625
N-[4-[4-(N-methyl-3-phenylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 59431911

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[3-[4-[3-(4-phenyl-N-(1,1,3,3-tetramethyl-2H-inden-5-yl)anilino)phenyl]phenyl]phenyl]naphthalen-2-amine?
The IUPAC name of N-phenyl-N-[3-[4-[3-(4-phenyl-N-(1,1,3,3-tetramethyl-2H-inden-5-yl)anilino)phenyl]phenyl]phenyl]naphthalen-2-amine (CID 170223052) is N-phenyl-N-[3-[4-[3-(4-phenyl-N-(1,1,3,3-tetramethyl-2H-inden-5-yl)anilino)phenyl]phenyl]phenyl]naphthalen-2-amine.
What is the SMILES notation for N-phenyl-N-[3-[4-[3-(4-phenyl-N-(1,1,3,3-tetramethyl-2H-inden-5-yl)anilino)phenyl]phenyl]phenyl]naphthalen-2-amine?
The canonical SMILES for N-phenyl-N-[3-[4-[3-(4-phenyl-N-(1,1,3,3-tetramethyl-2H-inden-5-yl)anilino)phenyl]phenyl]phenyl]naphthalen-2-amine is CC1(C)CC(C)(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4ccc(-c5cccc(N(c6ccccc6)c6ccc7ccccc7c6)c5)cc4)c3)ccc21.
What is the InChIKey of N-phenyl-N-[3-[4-[3-(4-phenyl-N-(1,1,3,3-tetramethyl-2H-inden-5-yl)anilino)phenyl]phenyl]phenyl]naphthalen-2-amine?
The InChIKey is MBODNUKBRNQGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H50N2/c1-58(2)41-59(3,4)57-40-55(35-36-56(57)58)61(51-32-29-44(30-33-51)42-15-7-5-8-16-42)53-24-14-20-49(38-53)46-27-25-45(26-28-46)48-19-13-23-52(37-48)60(50-21-9-6-10-22-50)54-34-31-43-17-11-12-18-47(43)39-54/h5-40H,41H2,1-4H3.
What are the key properties of N-phenyl-N-[3-[4-[3-(4-phenyl-N-(1,1,3,3-tetramethyl-2H-inden-5-yl)anilino)phenyl]phenyl]phenyl]naphthalen-2-amine?
N-phenyl-N-[3-[4-[3-(4-phenyl-N-(1,1,3,3-tetramethyl-2H-inden-5-yl)anilino)phenyl]phenyl]phenyl]naphthalen-2-amine has a molecular weight of 787.06 g/mol, XLogP of 16.74, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[3-[4-[3-(4-phenyl-N-(1,1,3,3-tetramethyl-2H-inden-5-yl)anilino)phenyl]phenyl]phenyl]naphthalen-2-amine is sourced from PubChem (CID 170223052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).