9-(2,2-diphenylethyl)-7-[(4-fluorophenyl)methyl]-5-(2-phenylethenyl)pyrrolo[3,4-g]quinolin-8-ol

C40H31FN2O — CID 91293635

IUPAC9-(2,2-diphenylethyl)-7-[(4-fluorophenyl)methyl]-5-(2-phenylethenyl)pyrrolo[3,4-g]quinolin-8-ol
SMILESOc1c2c(CC(c3ccccc3)c3ccccc3)c3ncccc3c(C=Cc3ccccc3)c2cn1Cc1ccc(F)cc1
InChIInChI=1S/C40H31FN2O/c41-32-21-18-29(19-22-32)26-43-27-37-33(23-20-28-11-4-1-5-12-28)34-17-10-24-42-39(34)36(38(37)40(43)44)25-35(30-13-6-2-7-14-30)31-15-8-3-9-16-31/h1-24,27,35,44H,25-26H2
InChIKeyMPAWWTVNMHUAHK-UHFFFAOYSA-N
MW574.70 g/mol
LogP9.63
Rot. Bonds8

About 9-(2,2-diphenylethyl)-7-[(4-fluorophenyl)methyl]-5-(2-phenylethenyl)pyrrolo[3,4-g]quinolin-8-ol

9-(2,2-diphenylethyl)-7-[(4-fluorophenyl)methyl]-5-(2-phenylethenyl)pyrrolo[3,4-g]quinolin-8-ol (PubChem CID 91293635) has the molecular formula C40H31FN2O and a molecular weight of 574.70 g/mol. Its IUPAC name is 9-(2,2-diphenylethyl)-7-[(4-fluorophenyl)methyl]-5-(2-phenylethenyl)pyrrolo[3,4-g]quinolin-8-ol.

Molecular Properties

Compound Name9-(2,2-diphenylethyl)-7-[(4-fluorophenyl)methyl]-5-(2-phenylethenyl)pyrrolo[3,4-g]quinolin-8-ol
PubChem CID91293635
Molecular FormulaC40H31FN2O
Molecular Weight574.70 g/mol
Exact Mass574.24
IUPAC Name9-(2,2-diphenylethyl)-7-[(4-fluorophenyl)methyl]-5-(2-phenylethenyl)pyrrolo[3,4-g]quinolin-8-ol
SMILESOc1c2c(CC(c3ccccc3)c3ccccc3)c3ncccc3c(C=Cc3ccccc3)c2cn1Cc1ccc(F)cc1
InChIInChI=1S/C40H31FN2O/c41-32-21-18-29(19-22-32)26-43-27-37-33(23-20-28-11-4-1-5-12-28)34-17-10-24-42-39(34)36(38(37)40(43)44)25-35(30-13-6-2-7-14-30)31-15-8-3-9-16-31/h1-24,27,35,44H,25-26H2
InChIKeyMPAWWTVNMHUAHK-UHFFFAOYSA-N
XLogP9.63
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.70
LogP ≤ 59.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

9-Hydroxy-2,5,11-trimethyl-6H-pyrido(4,3-b)carbazolium
CID 42723
N(2),N(6)-Dimethyl-9-hydroxyellipticinium
CID 125770
3-Methylnaphtho(1,2-E)indol-10-ol
CID 57332
6H-Pyrido(4,3-b)carbazolium, 9-hydroxy-2,5,11-trimethyl-, iodide (1:1)
CID 12805652
2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol chloride
CID 86153740
2-(5-Aminopentyl)-5,6,11-trimethylpyrido[4,3-b]carbazol-2-ium-9-ol chloride
CID 90682269
5,11-Dimethyl-6-propan-2-ylpyrido[4,3-b]carbazol-9-ol
CID 13936933
(9-Ethylcarbazol-3-yl)-quinolin-5-ylmethanol
CID 151965559
(5,10,11-Trimethylpyrido[3,4-b]carbazol-7-yl)methanol
CID 155805418
6-Ethyl-5,11-dimethyl-2-tetradecylpyrido[4,3-b]carbazol-2-ium-9-ol
CID 155806996
1-Methyl-3-[(1-naphthylamino)methylene]-1,3-dihydro-2H-indol-2-one
CID 805270
6H-Pyrido(4,3-b)carbazol-9-ol, 5,6,11-trimethyl-
CID 151341

Frequently Asked Questions

What is the IUPAC name of 9-(2,2-diphenylethyl)-7-[(4-fluorophenyl)methyl]-5-(2-phenylethenyl)pyrrolo[3,4-g]quinolin-8-ol?
The IUPAC name of 9-(2,2-diphenylethyl)-7-[(4-fluorophenyl)methyl]-5-(2-phenylethenyl)pyrrolo[3,4-g]quinolin-8-ol (CID 91293635) is 9-(2,2-diphenylethyl)-7-[(4-fluorophenyl)methyl]-5-(2-phenylethenyl)pyrrolo[3,4-g]quinolin-8-ol.
What is the SMILES notation for 9-(2,2-diphenylethyl)-7-[(4-fluorophenyl)methyl]-5-(2-phenylethenyl)pyrrolo[3,4-g]quinolin-8-ol?
The canonical SMILES for 9-(2,2-diphenylethyl)-7-[(4-fluorophenyl)methyl]-5-(2-phenylethenyl)pyrrolo[3,4-g]quinolin-8-ol is Oc1c2c(CC(c3ccccc3)c3ccccc3)c3ncccc3c(C=Cc3ccccc3)c2cn1Cc1ccc(F)cc1.
What is the InChIKey of 9-(2,2-diphenylethyl)-7-[(4-fluorophenyl)methyl]-5-(2-phenylethenyl)pyrrolo[3,4-g]quinolin-8-ol?
The InChIKey is MPAWWTVNMHUAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H31FN2O/c41-32-21-18-29(19-22-32)26-43-27-37-33(23-20-28-11-4-1-5-12-28)34-17-10-24-42-39(34)36(38(37)40(43)44)25-35(30-13-6-2-7-14-30)31-15-8-3-9-16-31/h1-24,27,35,44H,25-26H2.
What are the key properties of 9-(2,2-diphenylethyl)-7-[(4-fluorophenyl)methyl]-5-(2-phenylethenyl)pyrrolo[3,4-g]quinolin-8-ol?
9-(2,2-diphenylethyl)-7-[(4-fluorophenyl)methyl]-5-(2-phenylethenyl)pyrrolo[3,4-g]quinolin-8-ol has a molecular weight of 574.70 g/mol, XLogP of 9.63, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,2-diphenylethyl)-7-[(4-fluorophenyl)methyl]-5-(2-phenylethenyl)pyrrolo[3,4-g]quinolin-8-ol is sourced from PubChem (CID 91293635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).