N-[4-[5-[2,3-dimethyl-1-[4-(N-naphthalen-1-ylanilino)phenyl]indol-5-yl]-2,3-dimethylindol-1-yl]phenyl]-N-phenylnaphthalen-1-amine

C64H50N4 — CID 59184226

IUPACN-[4-[5-[2,3-dimethyl-1-[4-(N-naphthalen-1-ylanilino)phenyl]indol-5-yl]-2,3-dimethylindol-1-yl]phenyl]-N-phenylnaphthalen-1-amine
SMILESCc1c(C)n(-c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2)c2ccc(-c3ccc4c(c3)c(C)c(C)n4-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc12
InChIInChI=1S/C64H50N4/c1-43-45(3)65(53-31-35-55(36-32-53)67(51-21-7-5-8-22-51)61-27-15-19-47-17-11-13-25-57(47)61)63-39-29-49(41-59(43)63)50-30-40-64-60(42-50)44(2)46(4)66(64)54-33-37-56(38-34-54)68(52-23-9-6-10-24-52)62-28-16-20-48-18-12-14-26-58(48)62/h5-42H,1-4H3
InChIKeyGHAWSOSLMODLMX-UHFFFAOYSA-N
MW875.13 g/mol
LogP17.72
Rot. Bonds9

About N-[4-[5-[2,3-dimethyl-1-[4-(N-naphthalen-1-ylanilino)phenyl]indol-5-yl]-2,3-dimethylindol-1-yl]phenyl]-N-phenylnaphthalen-1-amine

N-[4-[5-[2,3-dimethyl-1-[4-(N-naphthalen-1-ylanilino)phenyl]indol-5-yl]-2,3-dimethylindol-1-yl]phenyl]-N-phenylnaphthalen-1-amine (PubChem CID 59184226) has the molecular formula C64H50N4 and a molecular weight of 875.13 g/mol. Its IUPAC name is N-[4-[5-[2,3-dimethyl-1-[4-(N-naphthalen-1-ylanilino)phenyl]indol-5-yl]-2,3-dimethylindol-1-yl]phenyl]-N-phenylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[4-[5-[2,3-dimethyl-1-[4-(N-naphthalen-1-ylanilino)phenyl]indol-5-yl]-2,3-dimethylindol-1-yl]phenyl]-N-phenylnaphthalen-1-amine
PubChem CID59184226
Molecular FormulaC64H50N4
Molecular Weight875.13 g/mol
Exact Mass874.40
IUPAC NameN-[4-[5-[2,3-dimethyl-1-[4-(N-naphthalen-1-ylanilino)phenyl]indol-5-yl]-2,3-dimethylindol-1-yl]phenyl]-N-phenylnaphthalen-1-amine
SMILESCc1c(C)n(-c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2)c2ccc(-c3ccc4c(c3)c(C)c(C)n4-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc12
InChIInChI=1S/C64H50N4/c1-43-45(3)65(53-31-35-55(36-32-53)67(51-21-7-5-8-22-51)61-27-15-19-47-17-11-13-25-57(47)61)63-39-29-49(41-59(43)63)50-30-40-64-60(42-50)44(2)46(4)66(64)54-33-37-56(38-34-54)68(52-23-9-6-10-24-52)62-28-16-20-48-18-12-14-26-58(48)62/h5-42H,1-4H3
InChIKeyGHAWSOSLMODLMX-UHFFFAOYSA-N
XLogP17.72
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500875.13
LogP ≤ 517.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[5-[2,3-dimethyl-1-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]indol-5-yl]-2,3-dimethylindol-1-yl]phenyl]-4-methyl-N-(4-phenylphenyl)aniline;N-[4-[5-[2,3-dimethyl-1-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]indol-5-yl]-2,3-dimethylindol-1-yl]phenyl]-N-naphthalen-1-ylnaphthalen-2-amine;N-[4-[5-[2,3-dimethyl-1-[4-(N-(4-phenylphenyl)anilino)phenyl]indol-5-yl]-2,3-dimethylindol-1-yl]phenyl]-N,4-diphenylaniline
CID 158168687
N-[4-[5-[2,3-dimethyl-1-[4-(N-naphthalen-1-yl-3,4-diphenylanilino)phenyl]indol-5-yl]-2,3-dimethylindol-1-yl]phenyl]-N-(3,4-diphenylphenyl)naphthalen-1-amine;N-[4-[5-[2,3-dimethyl-1-[4-(N-(4-phenylnaphthalen-1-yl)anilino)phenyl]indol-5-yl]-2,3-dimethylindol-1-yl]phenyl]-N,4-diphenylnaphthalen-1-amine;N-[4-[5-[2,3-dimethyl-1-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]indol-5-yl]-2,3-dimethylindol-1-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 158026844
N-[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 118402405
N-[4-[3-methyl-5-[3-methyl-1-[4-(4-methyl-N-naphthalen-1-ylanilino)phenyl]-2-phenylindol-5-yl]-2-phenylindol-1-yl]phenyl]-N-(4-methylphenyl)naphthalen-1-amine
CID 59184322
1-N,3-N,5-N-tris[6,9-bis(4-phenylphenyl)carbazol-3-yl]-1-N,3-N-dinaphthalen-1-yl-5-N-phenylbenzene-1,3,5-triamine
CID 88673324
N-phenyl-N-[4-[9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]naphthalen-1-amine
CID 89492126
N-(3,5-diphenylphenyl)-N-[4-[3-methyl-5-[3-methyl-1-[4-(N-naphthalen-1-yl-3,5-diphenylanilino)phenyl]-2-phenylindol-5-yl]-2-phenylindol-1-yl]phenyl]naphthalen-1-amine
CID 59184360
N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 67472370
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-naphthalen-1-yl-N,6-diphenylcarbazol-3-amine
CID 121459359
N-naphthalen-1-yl-9-phenyl-6-(4-phenylphenyl)-N-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]carbazol-3-amine
CID 59132923
N-(3,5-diphenylphenyl)-N-[4-[2-methyl-5-[2-methyl-1-[4-(N-naphthalen-1-yl-3,5-diphenylanilino)phenyl]-3-phenylindol-5-yl]-3-phenylindol-1-yl]phenyl]naphthalen-1-amine;N-[4-[2-methyl-5-[2-methyl-1-[4-(4-methyl-N-(3-phenylphenyl)anilino)phenyl]-3-phenylindol-5-yl]-3-phenylindol-1-yl]phenyl]-N-(4-methylphenyl)-3-phenylaniline;N-[4-[2-methyl-5-[2-methyl-3-phenyl-1-[4-(N-[4-(3-phenylphenyl)phenyl]anilino)phenyl]indol-5-yl]-3-phenylindol-1-yl]phenyl]-N-phenyl-4-(3-phenylphenyl)aniline
CID 159351263
9-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-(4-phenylphenyl)carbazol-3-amine
CID 158694626

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[2,3-dimethyl-1-[4-(N-naphthalen-1-ylanilino)phenyl]indol-5-yl]-2,3-dimethylindol-1-yl]phenyl]-N-phenylnaphthalen-1-amine?
The IUPAC name of N-[4-[5-[2,3-dimethyl-1-[4-(N-naphthalen-1-ylanilino)phenyl]indol-5-yl]-2,3-dimethylindol-1-yl]phenyl]-N-phenylnaphthalen-1-amine (CID 59184226) is N-[4-[5-[2,3-dimethyl-1-[4-(N-naphthalen-1-ylanilino)phenyl]indol-5-yl]-2,3-dimethylindol-1-yl]phenyl]-N-phenylnaphthalen-1-amine.
What is the SMILES notation for N-[4-[5-[2,3-dimethyl-1-[4-(N-naphthalen-1-ylanilino)phenyl]indol-5-yl]-2,3-dimethylindol-1-yl]phenyl]-N-phenylnaphthalen-1-amine?
The canonical SMILES for N-[4-[5-[2,3-dimethyl-1-[4-(N-naphthalen-1-ylanilino)phenyl]indol-5-yl]-2,3-dimethylindol-1-yl]phenyl]-N-phenylnaphthalen-1-amine is Cc1c(C)n(-c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2)c2ccc(-c3ccc4c(c3)c(C)c(C)n4-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc12.
What is the InChIKey of N-[4-[5-[2,3-dimethyl-1-[4-(N-naphthalen-1-ylanilino)phenyl]indol-5-yl]-2,3-dimethylindol-1-yl]phenyl]-N-phenylnaphthalen-1-amine?
The InChIKey is GHAWSOSLMODLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H50N4/c1-43-45(3)65(53-31-35-55(36-32-53)67(51-21-7-5-8-22-51)61-27-15-19-47-17-11-13-25-57(47)61)63-39-29-49(41-59(43)63)50-30-40-64-60(42-50)44(2)46(4)66(64)54-33-37-56(38-34-54)68(52-23-9-6-10-24-52)62-28-16-20-48-18-12-14-26-58(48)62/h5-42H,1-4H3.
What are the key properties of N-[4-[5-[2,3-dimethyl-1-[4-(N-naphthalen-1-ylanilino)phenyl]indol-5-yl]-2,3-dimethylindol-1-yl]phenyl]-N-phenylnaphthalen-1-amine?
N-[4-[5-[2,3-dimethyl-1-[4-(N-naphthalen-1-ylanilino)phenyl]indol-5-yl]-2,3-dimethylindol-1-yl]phenyl]-N-phenylnaphthalen-1-amine has a molecular weight of 875.13 g/mol, XLogP of 17.72, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[2,3-dimethyl-1-[4-(N-naphthalen-1-ylanilino)phenyl]indol-5-yl]-2,3-dimethylindol-1-yl]phenyl]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 59184226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).