6-N,6-N,8-N-triphenyl-8-N-[3-[[8-(N-phenylanilino)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-yl]oxy]phenyl]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-6,8-diamine

C60H55N5O — CID 166890473

IUPAC6-N,6-N,8-N-triphenyl-8-N-[3-[[8-(N-phenylanilino)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-yl]oxy]phenyl]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-6,8-diamine
SMILESc1ccc(N(c2ccccc2)c2cc(Oc3cccc(N(c4ccccc4)c4cc(N(c5ccccc5)c5ccccc5)c5c6c4CCCN6CCC5)c3)c3c4c2CCCN4CCC3)cc1
InChIInChI=1S/C60H55N5O/c1-6-21-44(22-7-1)63(45-23-8-2-9-24-45)55-42-56(52-34-18-38-61-37-17-33-51(55)59(52)61)65(48-29-14-5-15-30-48)49-31-16-32-50(41-49)66-58-43-57(53-35-19-39-62-40-20-36-54(58)60(53)62)64(46-25-10-3-11-26-46)47-27-12-4-13-28-47/h1-16,21-32,41-43H,17-20,33-40H2
InChIKeyNCSUASLWBSQKPH-UHFFFAOYSA-N
MW862.13 g/mol
LogP15.29
Rot. Bonds11

About 6-N,6-N,8-N-triphenyl-8-N-[3-[[8-(N-phenylanilino)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-yl]oxy]phenyl]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-6,8-diamine

6-N,6-N,8-N-triphenyl-8-N-[3-[[8-(N-phenylanilino)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-yl]oxy]phenyl]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-6,8-diamine (PubChem CID 166890473) has the molecular formula C60H55N5O and a molecular weight of 862.13 g/mol. Its IUPAC name is 6-N,6-N,8-N-triphenyl-8-N-[3-[[8-(N-phenylanilino)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-yl]oxy]phenyl]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-6,8-diamine.

Molecular Properties

Compound Name6-N,6-N,8-N-triphenyl-8-N-[3-[[8-(N-phenylanilino)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-yl]oxy]phenyl]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-6,8-diamine
PubChem CID166890473
Molecular FormulaC60H55N5O
Molecular Weight862.13 g/mol
Exact Mass861.44
IUPAC Name6-N,6-N,8-N-triphenyl-8-N-[3-[[8-(N-phenylanilino)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-yl]oxy]phenyl]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-6,8-diamine
SMILESc1ccc(N(c2ccccc2)c2cc(Oc3cccc(N(c4ccccc4)c4cc(N(c5ccccc5)c5ccccc5)c5c6c4CCCN6CCC5)c3)c3c4c2CCCN4CCC3)cc1
InChIInChI=1S/C60H55N5O/c1-6-21-44(22-7-1)63(45-23-8-2-9-24-45)55-42-56(52-34-18-38-61-37-17-33-51(55)59(52)61)65(48-29-14-5-15-30-48)49-31-16-32-50(41-49)66-58-43-57(53-35-19-39-62-40-20-36-54(58)60(53)62)64(46-25-10-3-11-26-46)47-27-12-4-13-28-47/h1-16,21-32,41-43H,17-20,33-40H2
InChIKeyNCSUASLWBSQKPH-UHFFFAOYSA-N
XLogP15.29
TPSA25.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500862.13
LogP ≤ 515.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-N,6-N,8-N-triphenyl-8-N-[3-[[8-(N-phenylanilino)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-yl]oxy]phenyl]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-6,8-diamine with MolForge

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Related Compounds

N,N-bis(9,9-diphenylfluoren-2-yl)-8-(9,9-diphenylfluoren-2-yl)oxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-amine
CID 166589164
2-chloro-N,N-diphenyl-3-[3-(N-phenylanilino)phenoxy]aniline
CID 118220078
N-[4-[2-[4-[N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)anilino]phenyl]-1,2-diphenylethenyl]phenyl]-N-phenyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine
CID 123354425
9-N,9-N,10-N,10-N-tetraphenyl-1,2,3,4,5,6,7,8-octahydroanthracene-9,10-diamine
CID 118180118
N-phenyl-6-[3-(N-phenylanilino)phenoxy]-N-[3-[3-(N-phenylanilino)phenoxy]phenyl]pyren-1-amine
CID 142722014
3-[6,10-bis[3-(N-phenylanilino)phenoxy]triphenylen-2-yl]oxy-N,N-diphenylaniline
CID 163456030
3-N-[1-[3,5-bis(N-phenylanilino)phenyl]-3,4-dihydro-2H-quinolin-5-yl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine
CID 166853444
7-[(6,8-diphenyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)methyl]-6,8-diphenyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
CID 153277388
N-[4-(4-methylphenyl)phenyl]-N-phenyl-3-[4-(N-phenylanilino)phenoxy]aniline
CID 71009566
4-(3-methoxy-N-(3-methoxyphenyl)anilino)benzoic acid
CID 139957869
9-N,10-N-diphenyl-9-N,10-N-di(triphenylen-2-yl)-1,2,3,4,5,6,7,8-octahydroanthracene-9,10-diamine
CID 118180150
3-(N-[4-[N-(3-carboxyphenyl)-4-[N-(3-carboxyphenyl)-4-[N-(3-carboxyphenyl)-4-(N-(3-carboxyphenyl)anilino)anilino]anilino]anilino]phenyl]anilino)benzoic acid
CID 101061815

Frequently Asked Questions

What is the IUPAC name of 6-N,6-N,8-N-triphenyl-8-N-[3-[[8-(N-phenylanilino)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-yl]oxy]phenyl]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-6,8-diamine?
The IUPAC name of 6-N,6-N,8-N-triphenyl-8-N-[3-[[8-(N-phenylanilino)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-yl]oxy]phenyl]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-6,8-diamine (CID 166890473) is 6-N,6-N,8-N-triphenyl-8-N-[3-[[8-(N-phenylanilino)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-yl]oxy]phenyl]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-6,8-diamine.
What is the SMILES notation for 6-N,6-N,8-N-triphenyl-8-N-[3-[[8-(N-phenylanilino)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-yl]oxy]phenyl]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-6,8-diamine?
The canonical SMILES for 6-N,6-N,8-N-triphenyl-8-N-[3-[[8-(N-phenylanilino)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-yl]oxy]phenyl]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-6,8-diamine is c1ccc(N(c2ccccc2)c2cc(Oc3cccc(N(c4ccccc4)c4cc(N(c5ccccc5)c5ccccc5)c5c6c4CCCN6CCC5)c3)c3c4c2CCCN4CCC3)cc1.
What is the InChIKey of 6-N,6-N,8-N-triphenyl-8-N-[3-[[8-(N-phenylanilino)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-yl]oxy]phenyl]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-6,8-diamine?
The InChIKey is NCSUASLWBSQKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H55N5O/c1-6-21-44(22-7-1)63(45-23-8-2-9-24-45)55-42-56(52-34-18-38-61-37-17-33-51(55)59(52)61)65(48-29-14-5-15-30-48)49-31-16-32-50(41-49)66-58-43-57(53-35-19-39-62-40-20-36-54(58)60(53)62)64(46-25-10-3-11-26-46)47-27-12-4-13-28-47/h1-16,21-32,41-43H,17-20,33-40H2.
What are the key properties of 6-N,6-N,8-N-triphenyl-8-N-[3-[[8-(N-phenylanilino)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-yl]oxy]phenyl]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-6,8-diamine?
6-N,6-N,8-N-triphenyl-8-N-[3-[[8-(N-phenylanilino)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-yl]oxy]phenyl]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-6,8-diamine has a molecular weight of 862.13 g/mol, XLogP of 15.29, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,6-N,8-N-triphenyl-8-N-[3-[[8-(N-phenylanilino)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-yl]oxy]phenyl]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-6,8-diamine is sourced from PubChem (CID 166890473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).