7-methoxy-1,9-dimethyl-3,6-diphenyl-8-propylcarbazole-2,4,5-triol

C30H29NO4 — CID 145482146

IUPAC7-methoxy-1,9-dimethyl-3,6-diphenyl-8-propylcarbazole-2,4,5-triol
SMILESCCCc1c(OC)c(-c2ccccc2)c(O)c2c3c(O)c(-c4ccccc4)c(O)c(C)c3n(C)c12
InChIInChI=1S/C30H29NO4/c1-5-12-20-26-24(29(34)22(30(20)35-4)19-15-10-7-11-16-19)23-25(31(26)3)17(2)27(32)21(28(23)33)18-13-8-6-9-14-18/h6-11,13-16,32-34H,5,12H2,1-4H3
InChIKeyJGBDMPZMEFXPMD-UHFFFAOYSA-N
MW467.57 g/mol
LogP7.05
Rot. Bonds5

About 7-methoxy-1,9-dimethyl-3,6-diphenyl-8-propylcarbazole-2,4,5-triol

7-methoxy-1,9-dimethyl-3,6-diphenyl-8-propylcarbazole-2,4,5-triol (PubChem CID 145482146) has the molecular formula C30H29NO4 and a molecular weight of 467.57 g/mol. Its IUPAC name is 7-methoxy-1,9-dimethyl-3,6-diphenyl-8-propylcarbazole-2,4,5-triol.

Molecular Properties

Compound Name7-methoxy-1,9-dimethyl-3,6-diphenyl-8-propylcarbazole-2,4,5-triol
PubChem CID145482146
Molecular FormulaC30H29NO4
Molecular Weight467.57 g/mol
Exact Mass467.21
IUPAC Name7-methoxy-1,9-dimethyl-3,6-diphenyl-8-propylcarbazole-2,4,5-triol
SMILESCCCc1c(OC)c(-c2ccccc2)c(O)c2c3c(O)c(-c4ccccc4)c(O)c(C)c3n(C)c12
InChIInChI=1S/C30H29NO4/c1-5-12-20-26-24(29(34)22(30(20)35-4)19-15-10-7-11-16-19)23-25(31(26)3)17(2)27(32)21(28(23)33)18-13-8-6-9-14-18/h6-11,13-16,32-34H,5,12H2,1-4H3
InChIKeyJGBDMPZMEFXPMD-UHFFFAOYSA-N
XLogP7.05
TPSA74.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.57
LogP ≤ 57.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 102026610
2-phenyl-3-propylbenzene-1,4-diol
CID 118690325
4-methoxy-2,3,5-trimethyl-6-phenylphenol;phosphoric acid
CID 160922447
2,3-dihydroxy-6-phenyl-4,5-dipropylbenzoic acid
CID 87860321
(3,4-dimethoxy-12-methyl-5-phenyl-11-tricyclo[5.3.1.12,6]dodeca-1(10),2,4,6(12),7(11),8-hexaenyl)methanol
CID 141218224
1,2,4,5-tetramethoxy-3-methyl-6-phenylbenzene
CID 90709146
4-hydroxy-1,3-dipropylquinolin-2-one
CID 54703043
4-hydroxy-3-propyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one
CID 54705810
4-hydroxy-1-methyl-3-nonylquinolin-2-one
CID 54687613
1-methyl-3-pentyl-2-phenylindole
CID 102287854
1,5-di(butan-2-yl)-2-(3,4-dimethoxy-2-methylphenyl)-4-phenyl-3-propylbenzene
CID 123205311
5-fluoro-2,3-dihydroxy-4-methoxy-6-phenylbenzaldehyde
CID 175743152

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1,9-dimethyl-3,6-diphenyl-8-propylcarbazole-2,4,5-triol?
The IUPAC name of 7-methoxy-1,9-dimethyl-3,6-diphenyl-8-propylcarbazole-2,4,5-triol (CID 145482146) is 7-methoxy-1,9-dimethyl-3,6-diphenyl-8-propylcarbazole-2,4,5-triol.
What is the SMILES notation for 7-methoxy-1,9-dimethyl-3,6-diphenyl-8-propylcarbazole-2,4,5-triol?
The canonical SMILES for 7-methoxy-1,9-dimethyl-3,6-diphenyl-8-propylcarbazole-2,4,5-triol is CCCc1c(OC)c(-c2ccccc2)c(O)c2c3c(O)c(-c4ccccc4)c(O)c(C)c3n(C)c12.
What is the InChIKey of 7-methoxy-1,9-dimethyl-3,6-diphenyl-8-propylcarbazole-2,4,5-triol?
The InChIKey is JGBDMPZMEFXPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29NO4/c1-5-12-20-26-24(29(34)22(30(20)35-4)19-15-10-7-11-16-19)23-25(31(26)3)17(2)27(32)21(28(23)33)18-13-8-6-9-14-18/h6-11,13-16,32-34H,5,12H2,1-4H3.
What are the key properties of 7-methoxy-1,9-dimethyl-3,6-diphenyl-8-propylcarbazole-2,4,5-triol?
7-methoxy-1,9-dimethyl-3,6-diphenyl-8-propylcarbazole-2,4,5-triol has a molecular weight of 467.57 g/mol, XLogP of 7.05, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1,9-dimethyl-3,6-diphenyl-8-propylcarbazole-2,4,5-triol is sourced from PubChem (CID 145482146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).