2-[7-[4-(dimethylamino)phenyl]-9-pyridin-2-yl-5,6-dihydrobenzo[h]quinolin-2-yl]phenol

C32H27N3O — CID 146591707

IUPAC2-[7-[4-(dimethylamino)phenyl]-9-pyridin-2-yl-5,6-dihydrobenzo[h]quinolin-2-yl]phenol
SMILESCN(C)c1ccc(-c2cc(-c3ccccn3)cc3c2CCc2ccc(-c4ccccc4O)nc2-3)cc1
InChIInChI=1S/C32H27N3O/c1-35(2)24-14-10-21(11-15-24)27-19-23(29-8-5-6-18-33-29)20-28-25(27)16-12-22-13-17-30(34-32(22)28)26-7-3-4-9-31(26)36/h3-11,13-15,17-20,36H,12,16H2,1-2H3
InChIKeyALUIKDUWUMYLPN-UHFFFAOYSA-N
MW469.59 g/mol
LogP7.01
Rot. Bonds4

About 2-[7-[4-(dimethylamino)phenyl]-9-pyridin-2-yl-5,6-dihydrobenzo[h]quinolin-2-yl]phenol

2-[7-[4-(dimethylamino)phenyl]-9-pyridin-2-yl-5,6-dihydrobenzo[h]quinolin-2-yl]phenol (PubChem CID 146591707) has the molecular formula C32H27N3O and a molecular weight of 469.59 g/mol. Its IUPAC name is 2-[7-[4-(dimethylamino)phenyl]-9-pyridin-2-yl-5,6-dihydrobenzo[h]quinolin-2-yl]phenol.

Molecular Properties

Compound Name2-[7-[4-(dimethylamino)phenyl]-9-pyridin-2-yl-5,6-dihydrobenzo[h]quinolin-2-yl]phenol
PubChem CID146591707
Molecular FormulaC32H27N3O
Molecular Weight469.59 g/mol
Exact Mass469.22
IUPAC Name2-[7-[4-(dimethylamino)phenyl]-9-pyridin-2-yl-5,6-dihydrobenzo[h]quinolin-2-yl]phenol
SMILESCN(C)c1ccc(-c2cc(-c3ccccn3)cc3c2CCc2ccc(-c4ccccc4O)nc2-3)cc1
InChIInChI=1S/C32H27N3O/c1-35(2)24-14-10-21(11-15-24)27-19-23(29-8-5-6-18-33-29)20-28-25(27)16-12-22-13-17-30(34-32(22)28)26-7-3-4-9-31(26)36/h3-11,13-15,17-20,36H,12,16H2,1-2H3
InChIKeyALUIKDUWUMYLPN-UHFFFAOYSA-N
XLogP7.01
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.59
LogP ≤ 57.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5,5-dipropyl-8-pyridin-2-yl-[1]benzogermolo[3,2-b]pyridin-2-yl)phenol
CID 153499183
1-N,1-N,3-N,3-N-tetramethyl-5-pyridin-2-ylbenzene-1,3-diamine
CID 102138084
4-[4-(dimethylamino)phenyl]-2-phenyl-6-pyridin-2-ylpyridine-3-carbonitrile
CID 101490789
bis(dimethylazanide);bis(2-pyridin-2-ylphenol);titanium(2+)
CID 135489220
2-(14,14-dimethyl-18-pyridin-2-yl-9-oxa-4-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)phenol
CID 164796527
2-(9,9-dibutyl-6-pyridin-2-ylfluoren-3-yl)phenol
CID 58058931
N,N-dimethyl-4-[4-methyl-5-(6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]aniline
CID 91345968
2-pyridin-2-ylphenol;hydrate
CID 175244966
N,N-dimethyl-4-phenyl-3-pyridin-2-ylaniline
CID 139252241
bis(N,N-dimethyl-4-pyridin-2-ylaniline);osmium;1,10-phenanthroline;hexafluorophosphate
CID 71715003
2-(9,14-diphenyl-18-pyridin-2-yl-4,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)phenol
CID 164796460
2-[4-[7-tert-butyl-3-(4-pyridin-2-ylphenyl)-4,5-dihydropyren-1-yl]phenyl]pyridine
CID 122487449

Frequently Asked Questions

What is the IUPAC name of 2-[7-[4-(dimethylamino)phenyl]-9-pyridin-2-yl-5,6-dihydrobenzo[h]quinolin-2-yl]phenol?
The IUPAC name of 2-[7-[4-(dimethylamino)phenyl]-9-pyridin-2-yl-5,6-dihydrobenzo[h]quinolin-2-yl]phenol (CID 146591707) is 2-[7-[4-(dimethylamino)phenyl]-9-pyridin-2-yl-5,6-dihydrobenzo[h]quinolin-2-yl]phenol.
What is the SMILES notation for 2-[7-[4-(dimethylamino)phenyl]-9-pyridin-2-yl-5,6-dihydrobenzo[h]quinolin-2-yl]phenol?
The canonical SMILES for 2-[7-[4-(dimethylamino)phenyl]-9-pyridin-2-yl-5,6-dihydrobenzo[h]quinolin-2-yl]phenol is CN(C)c1ccc(-c2cc(-c3ccccn3)cc3c2CCc2ccc(-c4ccccc4O)nc2-3)cc1.
What is the InChIKey of 2-[7-[4-(dimethylamino)phenyl]-9-pyridin-2-yl-5,6-dihydrobenzo[h]quinolin-2-yl]phenol?
The InChIKey is ALUIKDUWUMYLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27N3O/c1-35(2)24-14-10-21(11-15-24)27-19-23(29-8-5-6-18-33-29)20-28-25(27)16-12-22-13-17-30(34-32(22)28)26-7-3-4-9-31(26)36/h3-11,13-15,17-20,36H,12,16H2,1-2H3.
What are the key properties of 2-[7-[4-(dimethylamino)phenyl]-9-pyridin-2-yl-5,6-dihydrobenzo[h]quinolin-2-yl]phenol?
2-[7-[4-(dimethylamino)phenyl]-9-pyridin-2-yl-5,6-dihydrobenzo[h]quinolin-2-yl]phenol has a molecular weight of 469.59 g/mol, XLogP of 7.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[4-(dimethylamino)phenyl]-9-pyridin-2-yl-5,6-dihydrobenzo[h]quinolin-2-yl]phenol is sourced from PubChem (CID 146591707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).