3,4-dideuterio-6,6,9,9-tetramethyl-1-(3-methyl-9H-carbazol-1-yl)-7,8-dihydrobenzo[g]isoquinoline

C30H30N2 — CID 176812379

IUPAC3,4-dideuterio-6,6,9,9-tetramethyl-1-(3-methyl-9H-carbazol-1-yl)-7,8-dihydrobenzo[g]isoquinoline
SMILES[2H]c1nc(-c2cc(C)cc3c2[nH]c2ccccc23)c2cc3c(cc2c1[2H])C(C)(C)CCC3(C)C
InChIInChI=1S/C30H30N2/c1-18-14-22-20-8-6-7-9-26(20)32-28(22)23(15-18)27-21-17-25-24(16-19(21)10-13-31-27)29(2,3)11-12-30(25,4)5/h6-10,13-17,32H,11-12H2,1-5H3/i10D,13D
InChIKeyNHZUTPGPIVDSLN-JVWQUBBQSA-N
MW420.60 g/mol
LogP8.19
Rot. Bonds1

About 3,4-dideuterio-6,6,9,9-tetramethyl-1-(3-methyl-9H-carbazol-1-yl)-7,8-dihydrobenzo[g]isoquinoline

3,4-dideuterio-6,6,9,9-tetramethyl-1-(3-methyl-9H-carbazol-1-yl)-7,8-dihydrobenzo[g]isoquinoline (PubChem CID 176812379) has the molecular formula C30H30N2 and a molecular weight of 420.60 g/mol. Its IUPAC name is 3,4-dideuterio-6,6,9,9-tetramethyl-1-(3-methyl-9H-carbazol-1-yl)-7,8-dihydrobenzo[g]isoquinoline.

Molecular Properties

Compound Name3,4-dideuterio-6,6,9,9-tetramethyl-1-(3-methyl-9H-carbazol-1-yl)-7,8-dihydrobenzo[g]isoquinoline
PubChem CID176812379
Molecular FormulaC30H30N2
Molecular Weight420.60 g/mol
Exact Mass420.25
IUPAC Name3,4-dideuterio-6,6,9,9-tetramethyl-1-(3-methyl-9H-carbazol-1-yl)-7,8-dihydrobenzo[g]isoquinoline
SMILES[2H]c1nc(-c2cc(C)cc3c2[nH]c2ccccc23)c2cc3c(cc2c1[2H])C(C)(C)CCC3(C)C
InChIInChI=1S/C30H30N2/c1-18-14-22-20-8-6-7-9-26(20)32-28(22)23(15-18)27-21-17-25-24(16-19(21)10-13-31-27)29(2,3)11-12-30(25,4)5/h6-10,13-17,32H,11-12H2,1-5H3/i10D,13D
InChIKeyNHZUTPGPIVDSLN-JVWQUBBQSA-N
XLogP8.19
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.60
LogP ≤ 58.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,4-dideuterio-6,6,9,9-tetramethyl-1-(3-methyl-9H-carbazol-1-yl)-7,8-dihydrobenzo[g]isoquinoline 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 3,4-dideuterio-6,6,9,9-tetramethyl-1-(3-methyl-9H-carbazol-1-yl)-7,8-dihydrobenzo[g]isoquinoline?
The IUPAC name of 3,4-dideuterio-6,6,9,9-tetramethyl-1-(3-methyl-9H-carbazol-1-yl)-7,8-dihydrobenzo[g]isoquinoline (CID 176812379) is 3,4-dideuterio-6,6,9,9-tetramethyl-1-(3-methyl-9H-carbazol-1-yl)-7,8-dihydrobenzo[g]isoquinoline.
What is the SMILES notation for 3,4-dideuterio-6,6,9,9-tetramethyl-1-(3-methyl-9H-carbazol-1-yl)-7,8-dihydrobenzo[g]isoquinoline?
The canonical SMILES for 3,4-dideuterio-6,6,9,9-tetramethyl-1-(3-methyl-9H-carbazol-1-yl)-7,8-dihydrobenzo[g]isoquinoline is [2H]c1nc(-c2cc(C)cc3c2[nH]c2ccccc23)c2cc3c(cc2c1[2H])C(C)(C)CCC3(C)C.
What is the InChIKey of 3,4-dideuterio-6,6,9,9-tetramethyl-1-(3-methyl-9H-carbazol-1-yl)-7,8-dihydrobenzo[g]isoquinoline?
The InChIKey is NHZUTPGPIVDSLN-JVWQUBBQSA-N. The full InChI is InChI=1S/C30H30N2/c1-18-14-22-20-8-6-7-9-26(20)32-28(22)23(15-18)27-21-17-25-24(16-19(21)10-13-31-27)29(2,3)11-12-30(25,4)5/h6-10,13-17,32H,11-12H2,1-5H3/i10D,13D.
What are the key properties of 3,4-dideuterio-6,6,9,9-tetramethyl-1-(3-methyl-9H-carbazol-1-yl)-7,8-dihydrobenzo[g]isoquinoline?
3,4-dideuterio-6,6,9,9-tetramethyl-1-(3-methyl-9H-carbazol-1-yl)-7,8-dihydrobenzo[g]isoquinoline has a molecular weight of 420.60 g/mol, XLogP of 8.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dideuterio-6,6,9,9-tetramethyl-1-(3-methyl-9H-carbazol-1-yl)-7,8-dihydrobenzo[g]isoquinoline is sourced from PubChem (CID 176812379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).