12-methyl-6-propan-2-yl-[1]benzofuro[3,2-a]carbazole

C22H19NO — CID 169027952

IUPAC12-methyl-6-propan-2-yl-[1]benzofuro[3,2-a]carbazole
SMILESCC(C)c1cc2c3ccccc3n(C)c2c2c1oc1ccccc12
InChIInChI=1S/C22H19NO/c1-13(2)16-12-17-14-8-4-6-10-18(14)23(3)21(17)20-15-9-5-7-11-19(15)24-22(16)20/h4-13H,1-3H3
InChIKeyBAUUDYIQJCBTPN-UHFFFAOYSA-N
MW313.40 g/mol
LogP6.35
Rot. Bonds1

About 12-methyl-6-propan-2-yl-[1]benzofuro[3,2-a]carbazole

12-methyl-6-propan-2-yl-[1]benzofuro[3,2-a]carbazole (PubChem CID 169027952) has the molecular formula C22H19NO and a molecular weight of 313.40 g/mol. Its IUPAC name is 12-methyl-6-propan-2-yl-[1]benzofuro[3,2-a]carbazole.

Molecular Properties

Compound Name12-methyl-6-propan-2-yl-[1]benzofuro[3,2-a]carbazole
PubChem CID169027952
Molecular FormulaC22H19NO
Molecular Weight313.40 g/mol
Exact Mass313.15
IUPAC Name12-methyl-6-propan-2-yl-[1]benzofuro[3,2-a]carbazole
SMILESCC(C)c1cc2c3ccccc3n(C)c2c2c1oc1ccccc12
InChIInChI=1S/C22H19NO/c1-13(2)16-12-17-14-8-4-6-10-18(14)23(3)21(17)20-15-9-5-7-11-19(15)24-22(16)20/h4-13H,1-3H3
InChIKeyBAUUDYIQJCBTPN-UHFFFAOYSA-N
XLogP6.35
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.40
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-di(propan-2-yl)dibenzofuran-1-amine;ethane
CID 144650095
5-methyl-4-propan-2-yl-[1]benzofuro[3,2-c]carbazole
CID 169028023
1,3-di(propan-2-yl)dibenzofuran-4-amine
CID 58400957
1,4-dimethyl-3-propan-2-yldibenzofuran
CID 144782637
4-(7-methyl-[1]benzofuro[2,3-b]carbazol-6-yl)phenol
CID 155680737
3-methyl-14-oxa-3-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
CID 166026678
9-methyl-3-[6-(4-naphthalen-2-ylphenyl)naphtho[3,2-b][1]benzofuran-11-yl]carbazole
CID 176777757
9-methyl-3-[11-(4-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-6-yl]carbazole
CID 176777807
1-[2,4-di(propan-2-yl)dibenzofuran-1-yl]-2-phenylimidazole
CID 58400936
6-(1-adamantyl)-7-methyl-[1]benzofuro[2,3-b]carbazole
CID 169027749
ethane;1-propan-2-yldibenzofuran
CID 142343182
3,29-dioxa-19-azanonacyclo[17.13.1.02,10.04,9.012,33.013,18.020,32.022,30.023,28]tritriaconta-1(33),2(10),4,6,8,11,13,15,17,20(32),21,23,25,27,30-pentadecaene;9,29-dioxa-19-azanonacyclo[17.13.1.02,10.03,8.012,33.013,18.020,32.022,30.023,28]tritriaconta-1(33),2(10),3,5,7,11,13,15,17,20(32),21,23,25,27,30-pentadecaene;10,23-dioxa-1-azanonacyclo[17.13.1.02,7.08,33.09,17.011,16.020,32.022,30.024,29]tritriaconta-2,4,6,8,11,13,15,17,19(33),20(32),21,24,26,28,30-pentadecaene;16,23-dioxa-1-azanonacyclo[17.13.1.02,7.08,33.09,17.010,15.020,32.022,30.024,29]tritriaconta-2,4,6,8(33),9(17),10,12,14,18,20(32),21,24,26,28,30-pentadecaene
CID 159284825

Frequently Asked Questions

What is the IUPAC name of 12-methyl-6-propan-2-yl-[1]benzofuro[3,2-a]carbazole?
The IUPAC name of 12-methyl-6-propan-2-yl-[1]benzofuro[3,2-a]carbazole (CID 169027952) is 12-methyl-6-propan-2-yl-[1]benzofuro[3,2-a]carbazole.
What is the SMILES notation for 12-methyl-6-propan-2-yl-[1]benzofuro[3,2-a]carbazole?
The canonical SMILES for 12-methyl-6-propan-2-yl-[1]benzofuro[3,2-a]carbazole is CC(C)c1cc2c3ccccc3n(C)c2c2c1oc1ccccc12.
What is the InChIKey of 12-methyl-6-propan-2-yl-[1]benzofuro[3,2-a]carbazole?
The InChIKey is BAUUDYIQJCBTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO/c1-13(2)16-12-17-14-8-4-6-10-18(14)23(3)21(17)20-15-9-5-7-11-19(15)24-22(16)20/h4-13H,1-3H3.
What are the key properties of 12-methyl-6-propan-2-yl-[1]benzofuro[3,2-a]carbazole?
12-methyl-6-propan-2-yl-[1]benzofuro[3,2-a]carbazole has a molecular weight of 313.40 g/mol, XLogP of 6.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methyl-6-propan-2-yl-[1]benzofuro[3,2-a]carbazole is sourced from PubChem (CID 169027952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).