4-[12-(3,4-dihydroxyphenyl)-5,11-bis(2-methylpropyl)indolo[3,2-b]carbazol-6-yl]benzene-1,2-diol

C38H36N2O4 — CID 170680308

IUPAC4-[12-(3,4-dihydroxyphenyl)-5,11-bis(2-methylpropyl)indolo[3,2-b]carbazol-6-yl]benzene-1,2-diol
SMILESCC(C)Cn1c2ccccc2c2c(-c3ccc(O)c(O)c3)c3c(c(-c4ccc(O)c(O)c4)c21)c1ccccc1n3CC(C)C
InChIInChI=1S/C38H36N2O4/c1-21(2)19-39-27-11-7-5-9-25(27)35-34(24-14-16-30(42)32(44)18-24)38-36(26-10-6-8-12-28(26)40(38)20-22(3)4)33(37(35)39)23-13-15-29(41)31(43)17-23/h5-18,21-22,41-44H,19-20H2,1-4H3
InChIKeyPJCPIBDPXCNPMM-UHFFFAOYSA-N
MW584.72 g/mol
LogP9.37
Rot. Bonds6

About 4-[12-(3,4-dihydroxyphenyl)-5,11-bis(2-methylpropyl)indolo[3,2-b]carbazol-6-yl]benzene-1,2-diol

4-[12-(3,4-dihydroxyphenyl)-5,11-bis(2-methylpropyl)indolo[3,2-b]carbazol-6-yl]benzene-1,2-diol (PubChem CID 170680308) has the molecular formula C38H36N2O4 and a molecular weight of 584.72 g/mol. Its IUPAC name is 4-[12-(3,4-dihydroxyphenyl)-5,11-bis(2-methylpropyl)indolo[3,2-b]carbazol-6-yl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[12-(3,4-dihydroxyphenyl)-5,11-bis(2-methylpropyl)indolo[3,2-b]carbazol-6-yl]benzene-1,2-diol
PubChem CID170680308
Molecular FormulaC38H36N2O4
Molecular Weight584.72 g/mol
Exact Mass584.27
IUPAC Name4-[12-(3,4-dihydroxyphenyl)-5,11-bis(2-methylpropyl)indolo[3,2-b]carbazol-6-yl]benzene-1,2-diol
SMILESCC(C)Cn1c2ccccc2c2c(-c3ccc(O)c(O)c3)c3c(c(-c4ccc(O)c(O)c4)c21)c1ccccc1n3CC(C)C
InChIInChI=1S/C38H36N2O4/c1-21(2)19-39-27-11-7-5-9-25(27)35-34(24-14-16-30(42)32(44)18-24)38-36(26-10-6-8-12-28(26)40(38)20-22(3)4)33(37(35)39)23-13-15-29(41)31(43)17-23/h5-18,21-22,41-44H,19-20H2,1-4H3
InChIKeyPJCPIBDPXCNPMM-UHFFFAOYSA-N
XLogP9.37
TPSA90.78 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.72
LogP ≤ 59.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 4-[12-(3,4-dihydroxyphenyl)-5,11-bis(2-methylpropyl)indolo[3,2-b]carbazol-6-yl]benzene-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[12-(3,4-dihydroxyphenyl)-5,11-bis(2-methylpropyl)indolo[3,2-b]carbazol-6-yl]benzene-1,2-diol?
The IUPAC name of 4-[12-(3,4-dihydroxyphenyl)-5,11-bis(2-methylpropyl)indolo[3,2-b]carbazol-6-yl]benzene-1,2-diol (CID 170680308) is 4-[12-(3,4-dihydroxyphenyl)-5,11-bis(2-methylpropyl)indolo[3,2-b]carbazol-6-yl]benzene-1,2-diol.
What is the SMILES notation for 4-[12-(3,4-dihydroxyphenyl)-5,11-bis(2-methylpropyl)indolo[3,2-b]carbazol-6-yl]benzene-1,2-diol?
The canonical SMILES for 4-[12-(3,4-dihydroxyphenyl)-5,11-bis(2-methylpropyl)indolo[3,2-b]carbazol-6-yl]benzene-1,2-diol is CC(C)Cn1c2ccccc2c2c(-c3ccc(O)c(O)c3)c3c(c(-c4ccc(O)c(O)c4)c21)c1ccccc1n3CC(C)C.
What is the InChIKey of 4-[12-(3,4-dihydroxyphenyl)-5,11-bis(2-methylpropyl)indolo[3,2-b]carbazol-6-yl]benzene-1,2-diol?
The InChIKey is PJCPIBDPXCNPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H36N2O4/c1-21(2)19-39-27-11-7-5-9-25(27)35-34(24-14-16-30(42)32(44)18-24)38-36(26-10-6-8-12-28(26)40(38)20-22(3)4)33(37(35)39)23-13-15-29(41)31(43)17-23/h5-18,21-22,41-44H,19-20H2,1-4H3.
What are the key properties of 4-[12-(3,4-dihydroxyphenyl)-5,11-bis(2-methylpropyl)indolo[3,2-b]carbazol-6-yl]benzene-1,2-diol?
4-[12-(3,4-dihydroxyphenyl)-5,11-bis(2-methylpropyl)indolo[3,2-b]carbazol-6-yl]benzene-1,2-diol has a molecular weight of 584.72 g/mol, XLogP of 9.37, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[12-(3,4-dihydroxyphenyl)-5,11-bis(2-methylpropyl)indolo[3,2-b]carbazol-6-yl]benzene-1,2-diol is sourced from PubChem (CID 170680308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).