8-cyclohexyl-12-methyl-[1]benzofuro[2,3-a]carbazole

C25H23NO — CID 169027648

IUPAC8-cyclohexyl-12-methyl-[1]benzofuro[2,3-a]carbazole
SMILESCn1c2ccccc2c2ccc3c4cc(C5CCCCC5)ccc4oc3c21
InChIInChI=1S/C25H23NO/c1-26-22-10-6-5-9-18(22)19-12-13-20-21-15-17(16-7-3-2-4-8-16)11-14-23(21)27-25(20)24(19)26/h5-6,9-16H,2-4,7-8H2,1H3
InChIKeyPUFHXYLJZCVIMY-UHFFFAOYSA-N
MW353.47 g/mol
LogP7.28
Rot. Bonds1

About 8-cyclohexyl-12-methyl-[1]benzofuro[2,3-a]carbazole

8-cyclohexyl-12-methyl-[1]benzofuro[2,3-a]carbazole (PubChem CID 169027648) has the molecular formula C25H23NO and a molecular weight of 353.47 g/mol. Its IUPAC name is 8-cyclohexyl-12-methyl-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name8-cyclohexyl-12-methyl-[1]benzofuro[2,3-a]carbazole
PubChem CID169027648
Molecular FormulaC25H23NO
Molecular Weight353.47 g/mol
Exact Mass353.18
IUPAC Name8-cyclohexyl-12-methyl-[1]benzofuro[2,3-a]carbazole
SMILESCn1c2ccccc2c2ccc3c4cc(C5CCCCC5)ccc4oc3c21
InChIInChI=1S/C25H23NO/c1-26-22-10-6-5-9-18(22)19-12-13-20-21-15-17(16-7-3-2-4-8-16)11-14-23(21)27-25(20)24(19)26/h5-6,9-16H,2-4,7-8H2,1H3
InChIKeyPUFHXYLJZCVIMY-UHFFFAOYSA-N
XLogP7.28
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.47
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyldibenzofuran
CID 163628573
3-methyl-24-oxa-3-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 166026592
2-(7-cyclohexyldibenzofuran-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole
CID 176784424
12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2,6-dicyclohexyl-3,5-bis(2-fluorophenyl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 139552930
5-cyclohexyl-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18,20,22,25,27,29-pentadecaene
CID 176726705
12-methyl-18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 147424004
9-[8-[3-[(8-cyclohexyldibenzofuran-3-yl)methyl]phenyl]dibenzofuran-2-yl]-3-phenylcarbazole
CID 145421619
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
6-cyclohexyl-12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 118153185
8-cyclohexyl-N-[4-[4-(N-(8-cyclohexyldibenzofuran-2-yl)anilino)phenyl]phenyl]-N-phenyldibenzofuran-2-amine
CID 71126832
12-methyl-[1]benzofuro[2,3-a]carbazole;5-methyl-[1]benzofuro[3,2-c]carbazole;5-methyl-[1]benzothiolo[3,2-c]carbazole;14-methyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-methyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 158959487
5-cyclohexyl-3-[(S)-methylsulfinyl]-2-phenyl-1-benzofuran
CID 139080616

Frequently Asked Questions

What is the IUPAC name of 8-cyclohexyl-12-methyl-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 8-cyclohexyl-12-methyl-[1]benzofuro[2,3-a]carbazole (CID 169027648) is 8-cyclohexyl-12-methyl-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 8-cyclohexyl-12-methyl-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 8-cyclohexyl-12-methyl-[1]benzofuro[2,3-a]carbazole is Cn1c2ccccc2c2ccc3c4cc(C5CCCCC5)ccc4oc3c21.
What is the InChIKey of 8-cyclohexyl-12-methyl-[1]benzofuro[2,3-a]carbazole?
The InChIKey is PUFHXYLJZCVIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO/c1-26-22-10-6-5-9-18(22)19-12-13-20-21-15-17(16-7-3-2-4-8-16)11-14-23(21)27-25(20)24(19)26/h5-6,9-16H,2-4,7-8H2,1H3.
What are the key properties of 8-cyclohexyl-12-methyl-[1]benzofuro[2,3-a]carbazole?
8-cyclohexyl-12-methyl-[1]benzofuro[2,3-a]carbazole has a molecular weight of 353.47 g/mol, XLogP of 7.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclohexyl-12-methyl-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 169027648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).