9-(6-methoxy-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl)carbazole

C28H24N2O — CID 101491129

IUPAC9-(6-methoxy-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl)carbazole
SMILESCOc1ccc2c(c1)C(n1c3ccccc3c3ccccc31)CC(c1ccccc1)N2
InChIInChI=1S/C28H24N2O/c1-31-20-15-16-24-23(17-20)28(18-25(29-24)19-9-3-2-4-10-19)30-26-13-7-5-11-21(26)22-12-6-8-14-27(22)30/h2-17,25,28-29H,18H2,1H3
InChIKeyZYRFRZGGJVQVKG-UHFFFAOYSA-N
MW404.51 g/mol
LogP6.95
Rot. Bonds3

About 9-(6-methoxy-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl)carbazole

9-(6-methoxy-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl)carbazole (PubChem CID 101491129) has the molecular formula C28H24N2O and a molecular weight of 404.51 g/mol. Its IUPAC name is 9-(6-methoxy-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl)carbazole.

Molecular Properties

Compound Name9-(6-methoxy-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl)carbazole
PubChem CID101491129
Molecular FormulaC28H24N2O
Molecular Weight404.51 g/mol
Exact Mass404.19
IUPAC Name9-(6-methoxy-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl)carbazole
SMILESCOc1ccc2c(c1)C(n1c3ccccc3c3ccccc31)CC(c1ccccc1)N2
InChIInChI=1S/C28H24N2O/c1-31-20-15-16-24-23(17-20)28(18-25(29-24)19-9-3-2-4-10-19)30-26-13-7-5-11-21(26)22-12-6-8-14-27(22)30/h2-17,25,28-29H,18H2,1H3
InChIKeyZYRFRZGGJVQVKG-UHFFFAOYSA-N
XLogP6.95
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 56.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(2S,4R)-4-ethenyl-6-methoxy-2-phenyl-1,2,3,4-tetrahydroquinoline
CID 102052144
(2S,4R)-4-(3-methoxyphenyl)-2-phenyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole
CID 136743026
4,7-dimethoxy-2-phenyl-1,2,3,4-tetrahydroquinoline
CID 71032679
1-[(2S,4S)-6-methoxy-2-phenanthren-9-yl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one
CID 71456666
(2S,4R)-6-methoxy-4-phenyl-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 23237017
(2R,4R)-2-(4-fluorophenyl)-4-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole
CID 136743028
(5R,7S)-5-phenyl-7-(2,3,5-trimethoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
CID 135745863
(3aR,4S,9bR)-8-methoxy-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
CID 99134947
2-[(2S,4S)-4-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazol-2-yl]phenol
CID 136798194
7-(3-methoxyphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 662744
(3aS,4S,9bR)-8-methoxy-4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 15205800
1-[(2S)-2-(furan-2-yl)-6-methoxy-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one
CID 135002891

Frequently Asked Questions

What is the IUPAC name of 9-(6-methoxy-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl)carbazole?
The IUPAC name of 9-(6-methoxy-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl)carbazole (CID 101491129) is 9-(6-methoxy-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl)carbazole.
What is the SMILES notation for 9-(6-methoxy-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl)carbazole?
The canonical SMILES for 9-(6-methoxy-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl)carbazole is COc1ccc2c(c1)C(n1c3ccccc3c3ccccc31)CC(c1ccccc1)N2.
What is the InChIKey of 9-(6-methoxy-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl)carbazole?
The InChIKey is ZYRFRZGGJVQVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O/c1-31-20-15-16-24-23(17-20)28(18-25(29-24)19-9-3-2-4-10-19)30-26-13-7-5-11-21(26)22-12-6-8-14-27(22)30/h2-17,25,28-29H,18H2,1H3.
What are the key properties of 9-(6-methoxy-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl)carbazole?
9-(6-methoxy-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl)carbazole has a molecular weight of 404.51 g/mol, XLogP of 6.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-methoxy-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl)carbazole is sourced from PubChem (CID 101491129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).