4-(9,9-dimethyl-6,8,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol

C23H22N2O — CID 142445189

IUPAC4-(9,9-dimethyl-6,8,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol
SMILESCC1(C)CCc2c(c(-c3ccc(O)cc3)[nH]c3ccc4nccc4c23)C1
InChIInChI=1S/C23H22N2O/c1-23(2)11-9-16-18(13-23)22(14-3-5-15(26)6-4-14)25-20-8-7-19-17(21(16)20)10-12-24-19/h3-8,10,12,25-26H,9,11,13H2,1-2H3
InChIKeyXPIUKEJLCWFLMC-UHFFFAOYSA-N
MW342.44 g/mol
LogP5.60
Rot. Bonds1

About 4-(9,9-dimethyl-6,8,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol

4-(9,9-dimethyl-6,8,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol (PubChem CID 142445189) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is 4-(9,9-dimethyl-6,8,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol.

Molecular Properties

Compound Name4-(9,9-dimethyl-6,8,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol
PubChem CID142445189
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC Name4-(9,9-dimethyl-6,8,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol
SMILESCC1(C)CCc2c(c(-c3ccc(O)cc3)[nH]c3ccc4nccc4c23)C1
InChIInChI=1S/C23H22N2O/c1-23(2)11-9-16-18(13-23)22(14-3-5-15(26)6-4-14)25-20-8-7-19-17(21(16)20)10-12-24-19/h3-8,10,12,25-26H,9,11,13H2,1-2H3
InChIKeyXPIUKEJLCWFLMC-UHFFFAOYSA-N
XLogP5.60
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5,10-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),2,4,6,8,11-hexaen-11-yl)aniline
CID 142445719
7-(2-methoxypyrimidin-5-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine
CID 142445280
4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)benzamide
CID 142445291
7-(4-bromophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(5,10-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),2,4,6,8,11-hexaen-11-yl)phenol;4-(5,10-diazatetracyclo[7.6.0.02,6.012,15]pentadeca-1(15),2,4,6,8,11-hexaen-11-yl)phenol;2,6-dibromo-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;4-(9-methyl-6H-pyrrolo[3,2-f]quinolin-7-yl)phenol;4-(9-methyl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol
CID 163630203
7-(2-bromophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine
CID 142445926
4-(9-ethyl-8-methyl-6H-pyrrolo[3,2-f]quinolin-7-yl)phenol;5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)pyridin-2-amine;5-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)benzene-1,3-diol;4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)benzoic acid;4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol
CID 163992319
3-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)-1H-pyridin-2-one
CID 142445399
4-imino-3-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)but-2-en-2-amine
CID 174085117
cyclopropyl-[4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)piperazin-1-yl]methanone
CID 142445301
9-chloro-7-methyl-6H-pyrrolo[3,2-f]quinoline
CID 136921471
7-chloro-9-methyl-6H-pyrrolo[3,2-f]quinoline
CID 136921468
(2E,3Z)-2-ethylidene-N'-hydroxy-5-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)hexa-3,5-dienimidamide
CID 174115878

Frequently Asked Questions

What is the IUPAC name of 4-(9,9-dimethyl-6,8,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol?
The IUPAC name of 4-(9,9-dimethyl-6,8,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol (CID 142445189) is 4-(9,9-dimethyl-6,8,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol.
What is the SMILES notation for 4-(9,9-dimethyl-6,8,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol?
The canonical SMILES for 4-(9,9-dimethyl-6,8,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol is CC1(C)CCc2c(c(-c3ccc(O)cc3)[nH]c3ccc4nccc4c23)C1.
What is the InChIKey of 4-(9,9-dimethyl-6,8,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol?
The InChIKey is XPIUKEJLCWFLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O/c1-23(2)11-9-16-18(13-23)22(14-3-5-15(26)6-4-14)25-20-8-7-19-17(21(16)20)10-12-24-19/h3-8,10,12,25-26H,9,11,13H2,1-2H3.
What are the key properties of 4-(9,9-dimethyl-6,8,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol?
4-(9,9-dimethyl-6,8,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol has a molecular weight of 342.44 g/mol, XLogP of 5.60, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,9-dimethyl-6,8,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol is sourced from PubChem (CID 142445189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).