5-methyl-4-propan-2-yl-[1]benzofuro[3,2-c]carbazole

C22H19NO — CID 169028023

IUPAC5-methyl-4-propan-2-yl-[1]benzofuro[3,2-c]carbazole
SMILESCC(C)c1cccc2c3c4oc5ccccc5c4ccc3n(C)c12
InChIInChI=1S/C22H19NO/c1-13(2)14-8-6-9-17-20-18(23(3)21(14)17)12-11-16-15-7-4-5-10-19(15)24-22(16)20/h4-13H,1-3H3
InChIKeyHQUGWKFGXIFQIJ-UHFFFAOYSA-N
MW313.40 g/mol
LogP6.35
Rot. Bonds1

About 5-methyl-4-propan-2-yl-[1]benzofuro[3,2-c]carbazole

5-methyl-4-propan-2-yl-[1]benzofuro[3,2-c]carbazole (PubChem CID 169028023) has the molecular formula C22H19NO and a molecular weight of 313.40 g/mol. Its IUPAC name is 5-methyl-4-propan-2-yl-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-methyl-4-propan-2-yl-[1]benzofuro[3,2-c]carbazole
PubChem CID169028023
Molecular FormulaC22H19NO
Molecular Weight313.40 g/mol
Exact Mass313.15
IUPAC Name5-methyl-4-propan-2-yl-[1]benzofuro[3,2-c]carbazole
SMILESCC(C)c1cccc2c3c4oc5ccccc5c4ccc3n(C)c12
InChIInChI=1S/C22H19NO/c1-13(2)14-8-6-9-17-20-18(23(3)21(14)17)12-11-16-15-7-4-5-10-19(15)24-22(16)20/h4-13H,1-3H3
InChIKeyHQUGWKFGXIFQIJ-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

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CID 142504734
2-(5-phenyl-[1]benzofuro[2,3-g]carbazol-4-yl)aniline
CID 139539216
CID 167400605
CID 167400605
9,31-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.010,15.028,40.030,38.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,10,12,14,16,19(46),20,22,25,28(40),29,32,34,36,38,41(45),42-henicosaene;10,32-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.011,16.028,40.031,39.033,38.041,45.023,46]hexatetraconta-1(45),2,4(24),6(18),7,9(17),11,13,15,19,21,23(46),25,28(40),29,31(39),33,35,37,41,43-henicosaene;14,36-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.07,15.08,13.028,40.029,37.030,35.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7(15),8,10,12,16,19(46),20,22,25,28(40),29(37),30,32,34,38,41(45),42-henicosaene;15,37-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.09,14.028,40.030,38.031,36.041,45.023,46]hexatetraconta-1(45),2,4(24),6(18),7,9,11,13,16,19,21,23(46),25,28(40),29,31,33,35,38,41,43-henicosaene;16,38-dioxa-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.010,15.028,40.031,39.032,37.041,45.023,46]hexatetraconta-1(45),2,4(24),6(18),7,9(17),10,12,14,19,21,23(46),25,28(40),29,31(39),32,34,36,41,43-henicosaene
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CID 149479676
2-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran;3-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran;4-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran
CID 158759484
9,30-dioxa-20,26-diaza-1-boratridecacyclo[23.19.1.12,6.126,40.07,19.08,16.010,15.021,45.027,39.029,37.031,36.020,47.044,46]heptatetraconta-2(47),3,5,7(19),8(16),10,12,14,17,21(45),22,24,27(39),28,31,33,35,37,40,42,44(46)-henicosaene
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CID 164803382
15,19-diphenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-propan-2-yl-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-methyl-4-propan-2-yl-[1]benzofuro[3,2-c]carbazole (CID 169028023) is 5-methyl-4-propan-2-yl-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-methyl-4-propan-2-yl-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-methyl-4-propan-2-yl-[1]benzofuro[3,2-c]carbazole is CC(C)c1cccc2c3c4oc5ccccc5c4ccc3n(C)c12.
What is the InChIKey of 5-methyl-4-propan-2-yl-[1]benzofuro[3,2-c]carbazole?
The InChIKey is HQUGWKFGXIFQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO/c1-13(2)14-8-6-9-17-20-18(23(3)21(14)17)12-11-16-15-7-4-5-10-19(15)24-22(16)20/h4-13H,1-3H3.
What are the key properties of 5-methyl-4-propan-2-yl-[1]benzofuro[3,2-c]carbazole?
5-methyl-4-propan-2-yl-[1]benzofuro[3,2-c]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 5-methyl-4-propan-2-yl-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 169028023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).