4,5,6,7,8,9,10-heptamethyl-2,3-dihydro-1H-pyrrolo[3,4-b]carbazole

C21H26N2 — CID 58773403

IUPAC4,5,6,7,8,9,10-heptamethyl-2,3-dihydro-1H-pyrrolo[3,4-b]carbazole
SMILESCc1c(C)c(C)c2c(c1C)c1c(C)c3c(c(C)c1n2C)CNC3
InChIInChI=1S/C21H26N2/c1-10-11(2)13(4)20-18(12(10)3)19-14(5)16-8-22-9-17(16)15(6)21(19)23(20)7/h22H,8-9H2,1-7H3
InChIKeyXDIOOWNTGOVVAM-UHFFFAOYSA-N
MW306.45 g/mol
LogP4.79
Rot. Bonds

About 4,5,6,7,8,9,10-heptamethyl-2,3-dihydro-1H-pyrrolo[3,4-b]carbazole

4,5,6,7,8,9,10-heptamethyl-2,3-dihydro-1H-pyrrolo[3,4-b]carbazole (PubChem CID 58773403) has the molecular formula C21H26N2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 4,5,6,7,8,9,10-heptamethyl-2,3-dihydro-1H-pyrrolo[3,4-b]carbazole.

Molecular Properties

Compound Name4,5,6,7,8,9,10-heptamethyl-2,3-dihydro-1H-pyrrolo[3,4-b]carbazole
PubChem CID58773403
Molecular FormulaC21H26N2
Molecular Weight306.45 g/mol
Exact Mass306.21
IUPAC Name4,5,6,7,8,9,10-heptamethyl-2,3-dihydro-1H-pyrrolo[3,4-b]carbazole
SMILESCc1c(C)c(C)c2c(c1C)c1c(C)c3c(c(C)c1n2C)CNC3
InChIInChI=1S/C21H26N2/c1-10-11(2)13(4)20-18(12(10)3)19-14(5)16-8-22-9-17(16)15(6)21(19)23(20)7/h22H,8-9H2,1-7H3
InChIKeyXDIOOWNTGOVVAM-UHFFFAOYSA-N
XLogP4.79
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methane;1,2,3,4,5,6,7,8,9-nonamethylcarbazole
CID 158365814
5,6,7-trimethyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-4-one
CID 151318248
1,2,3,4,5,6,8,9-octamethyl-7-[(1,2,4,5,6,7,8,9-octamethylcarbazol-3-yl)methyl]carbazole
CID 129087204
1,2,3,4,5,7,8,9-octamethyl-6-prop-1-ynylcarbazole
CID 23527710
1,2,3,4,5,7,8,9-octamethyl-6-(3-methylbut-2-en-2-yl)carbazole
CID 23527720
N,N-dimethyl-1-(1,2,4,5,6,7,8,9-octamethylcarbazol-3-yl)methanamine
CID 170288713
1,2,3,4,6,7-hexamethyl-5-(2,3,4,5,6-pentamethylphenyl)indole
CID 59246608
1,2,3,5,6,7-hexamethyl-4-(2,3,4,5,6-pentamethylphenyl)indole
CID 59246621
ethane;propane;4,6,7-trimethyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine
CID 142502907
2,2,2-trifluoroacetic acid;5,6,7-trimethyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-4-one
CID 175800753
1,2,3,4,5,6,7-heptamethylindole;methane;1,2,3,4,5-pentamethylcyclopenta-1,3-diene
CID 157093182
5,6,7,12-tetramethylindolo[3,2-c]carbazole
CID 134194406

Frequently Asked Questions

What is the IUPAC name of 4,5,6,7,8,9,10-heptamethyl-2,3-dihydro-1H-pyrrolo[3,4-b]carbazole?
The IUPAC name of 4,5,6,7,8,9,10-heptamethyl-2,3-dihydro-1H-pyrrolo[3,4-b]carbazole (CID 58773403) is 4,5,6,7,8,9,10-heptamethyl-2,3-dihydro-1H-pyrrolo[3,4-b]carbazole.
What is the SMILES notation for 4,5,6,7,8,9,10-heptamethyl-2,3-dihydro-1H-pyrrolo[3,4-b]carbazole?
The canonical SMILES for 4,5,6,7,8,9,10-heptamethyl-2,3-dihydro-1H-pyrrolo[3,4-b]carbazole is Cc1c(C)c(C)c2c(c1C)c1c(C)c3c(c(C)c1n2C)CNC3.
What is the InChIKey of 4,5,6,7,8,9,10-heptamethyl-2,3-dihydro-1H-pyrrolo[3,4-b]carbazole?
The InChIKey is XDIOOWNTGOVVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2/c1-10-11(2)13(4)20-18(12(10)3)19-14(5)16-8-22-9-17(16)15(6)21(19)23(20)7/h22H,8-9H2,1-7H3.
What are the key properties of 4,5,6,7,8,9,10-heptamethyl-2,3-dihydro-1H-pyrrolo[3,4-b]carbazole?
4,5,6,7,8,9,10-heptamethyl-2,3-dihydro-1H-pyrrolo[3,4-b]carbazole has a molecular weight of 306.45 g/mol, XLogP of 4.79, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7,8,9,10-heptamethyl-2,3-dihydro-1H-pyrrolo[3,4-b]carbazole is sourced from PubChem (CID 58773403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).