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

C75H60N6 — CID 166853444

IUPAC3-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
SMILESc1ccc(N(c2ccccc2)c2cc(N3CCCc4c3cccc4N(c3ccccc3)c3cc(N(c4ccccc4)c4ccccc4)cc(N(c4ccccc4)c4ccccc4)c3)cc(N(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C75H60N6/c1-10-30-58(31-11-1)77(59-32-12-2-13-33-59)68-52-67(53-69(54-68)78(60-34-14-3-15-35-60)61-36-16-4-17-37-61)76-51-29-48-73-74(76)49-28-50-75(73)81(66-46-26-9-27-47-66)72-56-70(79(62-38-18-5-19-39-62)63-40-20-6-21-41-63)55-71(57-72)80(64-42-22-7-23-43-64)65-44-24-8-25-45-65/h1-28,30-47,49-50,52-57H,29,48,51H2
InChIKeyDUBRTRNDBOWSKH-UHFFFAOYSA-N
MW1045.35 g/mol
LogP21.12
Rot. Bonds16

About 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

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 (PubChem CID 166853444) has the molecular formula C75H60N6 and a molecular weight of 1045.35 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID166853444
Molecular FormulaC75H60N6
Molecular Weight1045.35 g/mol
Exact Mass1044.49
IUPAC Name3-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
SMILESc1ccc(N(c2ccccc2)c2cc(N3CCCc4c3cccc4N(c3ccccc3)c3cc(N(c4ccccc4)c4ccccc4)cc(N(c4ccccc4)c4ccccc4)c3)cc(N(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C75H60N6/c1-10-30-58(31-11-1)77(59-32-12-2-13-33-59)68-52-67(53-69(54-68)78(60-34-14-3-15-35-60)61-36-16-4-17-37-61)76-51-29-48-73-74(76)49-28-50-75(73)81(66-46-26-9-27-47-66)72-56-70(79(62-38-18-5-19-39-62)63-40-20-6-21-41-63)55-71(57-72)80(64-42-22-7-23-43-64)65-44-24-8-25-45-65/h1-28,30-47,49-50,52-57H,29,48,51H2
InChIKeyDUBRTRNDBOWSKH-UHFFFAOYSA-N
XLogP21.12
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001045.35
LogP ≤ 521.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

3-N-[3-(N-[3-(N-[3-(N-[3,5-bis(N-phenylanilino)phenyl]anilino)phenyl]anilino)-5-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine
CID 155054486
3-(3,4-dihydro-2H-quinolin-1-yl)-5-[5-(3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-phenylaniline
CID 160691344
1-N,1-N,3-N-triphenyl-3-N-[3-(N-[3-(N-[3-(N-phenylanilino)phenyl]anilino)phenyl]anilino)phenyl]benzene-1,3-diamine
CID 58623553
1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 4163727
9-N,9-N,10-N,10-N-tetraphenyl-1,2,3,4,5,6,7,8-octahydroanthracene-9,10-diamine
CID 118180118
2-methyl-N,N-diphenyl-3,4-dihydro-1H-isoquinolin-5-amine
CID 174930590
3-N-(3-carbazol-9-ylphenyl)-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine
CID 90061335
1-N,2-N-diphenyl-1-N,2-N-bis[4-(N-phenylanilino)phenyl]benzene-1,2-diamine
CID 24872736
1-N,1-N,3-N,5-N,5-N-pentakis-phenyl-3-N-(2-phenylphenyl)benzene-1,3,5-triamine
CID 164813791
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
1-(4-chlorophenyl)-3,4-dihydro-2H-quinolin-5-ol
CID 91464637
(3R)-4-N,4-N'-diphenyl-4-N'-[3-(N-phenylanilino)phenyl]-4-N-(3-phenylphenyl)-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine
CID 170780252

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(N(c2ccccc2)c2cc(N3CCCc4c3cccc4N(c3ccccc3)c3cc(N(c4ccccc4)c4ccccc4)cc(N(c4ccccc4)c4ccccc4)c3)cc(N(c3ccccc3)c3ccccc3)c2)cc1.
What is the InChIKey of 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?
The InChIKey is DUBRTRNDBOWSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H60N6/c1-10-30-58(31-11-1)77(59-32-12-2-13-33-59)68-52-67(53-69(54-68)78(60-34-14-3-15-35-60)61-36-16-4-17-37-61)76-51-29-48-73-74(76)49-28-50-75(73)81(66-46-26-9-27-47-66)72-56-70(79(62-38-18-5-19-39-62)63-40-20-6-21-41-63)55-71(57-72)80(64-42-22-7-23-43-64)65-44-24-8-25-45-65/h1-28,30-47,49-50,52-57H,29,48,51H2.
What are the key properties of 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?
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 has a molecular weight of 1045.35 g/mol, XLogP of 21.12, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166853444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).