10-(3-methyl-2H-imidazol-1-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole

C28H21N3O — CID 130457964

IUPAC10-(3-methyl-2H-imidazol-1-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
SMILESCN1C=CN(c2ccc3c(c2)c2cc4c(cc2n3-c2ccccc2)oc2ccccc24)C1
InChIInChI=1S/C28H21N3O/c1-29-13-14-30(18-29)20-11-12-25-22(15-20)23-16-24-21-9-5-6-10-27(21)32-28(24)17-26(23)31(25)19-7-3-2-4-8-19/h2-17H,18H2,1H3
InChIKeyDHSWJCSHBISJQX-UHFFFAOYSA-N
MW415.50 g/mol
LogP6.86
Rot. Bonds2

About 10-(3-methyl-2H-imidazol-1-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole

10-(3-methyl-2H-imidazol-1-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole (PubChem CID 130457964) has the molecular formula C28H21N3O and a molecular weight of 415.50 g/mol. Its IUPAC name is 10-(3-methyl-2H-imidazol-1-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name10-(3-methyl-2H-imidazol-1-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
PubChem CID130457964
Molecular FormulaC28H21N3O
Molecular Weight415.50 g/mol
Exact Mass415.17
IUPAC Name10-(3-methyl-2H-imidazol-1-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
SMILESCN1C=CN(c2ccc3c(c2)c2cc4c(cc2n3-c2ccccc2)oc2ccccc24)C1
InChIInChI=1S/C28H21N3O/c1-29-13-14-30(18-29)20-11-12-25-22(15-20)23-16-24-21-9-5-6-10-27(21)32-28(24)17-26(23)31(25)19-7-3-2-4-8-19/h2-17H,18H2,1H3
InChIKeyDHSWJCSHBISJQX-UHFFFAOYSA-N
XLogP6.86
TPSA24.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.50
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-phenyl-10-[4-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 134223336
15-(9-dibenzofuran-3-ylcarbazol-3-yl)-11,19-diphenyl-11,15,19-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 174349854
7-[4-(4-carbazol-9-ylphenyl)phenyl]-10-phenyl-[1]benzofuro[2,3-b]carbazole
CID 167192760
11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 102324620
15-methyl-10-phenyl-19-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene
CID 145268618
2-methyl-7-phenyl-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole
CID 134223454
16-phenyl-20-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-12-oxa-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene
CID 134223333
30-(9-phenylcarbazol-2-yl)-5-oxa-30-azaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1(32),2,4(12),6,8,10,13,15,17,19,21,23(31),24,26,28-pentadecaene
CID 118361078
7-[4-(8-phenyldibenzofuran-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 171612092
3-[9-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)carbazol-2-yl]-9-phenylcarbazole
CID 135171606
2-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223413
3,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594554

Frequently Asked Questions

What is the IUPAC name of 10-(3-methyl-2H-imidazol-1-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 10-(3-methyl-2H-imidazol-1-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole (CID 130457964) is 10-(3-methyl-2H-imidazol-1-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 10-(3-methyl-2H-imidazol-1-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 10-(3-methyl-2H-imidazol-1-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole is CN1C=CN(c2ccc3c(c2)c2cc4c(cc2n3-c2ccccc2)oc2ccccc24)C1.
What is the InChIKey of 10-(3-methyl-2H-imidazol-1-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole?
The InChIKey is DHSWJCSHBISJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N3O/c1-29-13-14-30(18-29)20-11-12-25-22(15-20)23-16-24-21-9-5-6-10-27(21)32-28(24)17-26(23)31(25)19-7-3-2-4-8-19/h2-17H,18H2,1H3.
What are the key properties of 10-(3-methyl-2H-imidazol-1-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole?
10-(3-methyl-2H-imidazol-1-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole has a molecular weight of 415.50 g/mol, XLogP of 6.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-methyl-2H-imidazol-1-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 130457964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).