12-(4-methylphenyl)-[1]benzofuro[2,3-a]carbazole;12-(4-methylphenyl)-[1]benzofuro[3,2-a]carbazole;7-(3-methylphenyl)-[1]benzofuro[2,3-b]carbazole;11-(3-methylphenyl)-[1]benzofuro[3,2-b]carbazole;5-(3-methylphenyl)-[1]benzofuro[3,2-c]carbazole

C125H85N5O5 — CID 158709944

IUPAC12-(4-methylphenyl)-[1]benzofuro[2,3-a]carbazole;12-(4-methylphenyl)-[1]benzofuro[3,2-a]carbazole;7-(3-methylphenyl)-[1]benzofuro[2,3-b]carbazole;11-(3-methylphenyl)-[1]benzofuro[3,2-b]carbazole;5-(3-methylphenyl)-[1]benzofuro[3,2-c]carbazole
SMILESCc1ccc(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)cc1.Cc1ccc(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)cc1.Cc1cccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1.Cc1cccc(-n2c3ccccc3c3cc4c(cc32)oc2ccccc24)c1.Cc1cccc(-n2c3ccccc3c3cc4oc5ccccc5c4cc32)c1
InChIInChI=1S/5C25H17NO/c1-16-7-6-8-17(15-16)26-21-11-4-2-10-20(21)24-22(26)14-13-19-18-9-3-5-12-23(18)27-25(19)24;1-16-7-6-8-17(13-16)26-22-11-4-2-9-18(22)20-15-25-21(14-23(20)26)19-10-3-5-12-24(19)27-25;1-16-7-6-8-17(13-16)26-22-11-4-2-9-18(22)20-14-21-19-10-3-5-12-24(19)27-25(21)15-23(20)26;1-16-10-12-17(13-11-16)26-21-8-4-2-6-18(21)19-14-15-23-24(25(19)26)20-7-3-5-9-22(20)27-23;1-16-10-12-17(13-11-16)26-22-8-4-2-6-18(22)20-14-15-21-19-7-3-5-9-23(19)27-25(21)24(20)26/h5*2-15H,1H3
InChIKeyIIPANMFKYMVBAK-UHFFFAOYSA-N
MW1737.08 g/mol
LogP34.96
Rot. Bonds5

About 12-(4-methylphenyl)-[1]benzofuro[2,3-a]carbazole;12-(4-methylphenyl)-[1]benzofuro[3,2-a]carbazole;7-(3-methylphenyl)-[1]benzofuro[2,3-b]carbazole;11-(3-methylphenyl)-[1]benzofuro[3,2-b]carbazole;5-(3-methylphenyl)-[1]benzofuro[3,2-c]carbazole

12-(4-methylphenyl)-[1]benzofuro[2,3-a]carbazole;12-(4-methylphenyl)-[1]benzofuro[3,2-a]carbazole;7-(3-methylphenyl)-[1]benzofuro[2,3-b]carbazole;11-(3-methylphenyl)-[1]benzofuro[3,2-b]carbazole;5-(3-methylphenyl)-[1]benzofuro[3,2-c]carbazole (PubChem CID 158709944) has the molecular formula C125H85N5O5 and a molecular weight of 1737.08 g/mol. Its IUPAC name is 12-(4-methylphenyl)-[1]benzofuro[2,3-a]carbazole;12-(4-methylphenyl)-[1]benzofuro[3,2-a]carbazole;7-(3-methylphenyl)-[1]benzofuro[2,3-b]carbazole;11-(3-methylphenyl)-[1]benzofuro[3,2-b]carbazole;5-(3-methylphenyl)-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name12-(4-methylphenyl)-[1]benzofuro[2,3-a]carbazole;12-(4-methylphenyl)-[1]benzofuro[3,2-a]carbazole;7-(3-methylphenyl)-[1]benzofuro[2,3-b]carbazole;11-(3-methylphenyl)-[1]benzofuro[3,2-b]carbazole;5-(3-methylphenyl)-[1]benzofuro[3,2-c]carbazole
PubChem CID158709944
Molecular FormulaC125H85N5O5
Molecular Weight1737.08 g/mol
Exact Mass1735.66
IUPAC Name12-(4-methylphenyl)-[1]benzofuro[2,3-a]carbazole;12-(4-methylphenyl)-[1]benzofuro[3,2-a]carbazole;7-(3-methylphenyl)-[1]benzofuro[2,3-b]carbazole;11-(3-methylphenyl)-[1]benzofuro[3,2-b]carbazole;5-(3-methylphenyl)-[1]benzofuro[3,2-c]carbazole
SMILESCc1ccc(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)cc1.Cc1ccc(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)cc1.Cc1cccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1.Cc1cccc(-n2c3ccccc3c3cc4c(cc32)oc2ccccc24)c1.Cc1cccc(-n2c3ccccc3c3cc4oc5ccccc5c4cc32)c1
InChIInChI=1S/5C25H17NO/c1-16-7-6-8-17(15-16)26-21-11-4-2-10-20(21)24-22(26)14-13-19-18-9-3-5-12-23(18)27-25(19)24;1-16-7-6-8-17(13-16)26-22-11-4-2-9-18(22)20-15-25-21(14-23(20)26)19-10-3-5-12-24(19)27-25;1-16-7-6-8-17(13-16)26-22-11-4-2-9-18(22)20-14-21-19-10-3-5-12-24(19)27-25(21)15-23(20)26;1-16-10-12-17(13-11-16)26-21-8-4-2-6-18(21)19-14-15-23-24(25(19)26)20-7-3-5-9-22(20)27-23;1-16-10-12-17(13-11-16)26-22-8-4-2-6-18(22)20-14-15-21-19-7-3-5-9-23(19)27-25(21)24(20)26/h5*2-15H,1H3
InChIKeyIIPANMFKYMVBAK-UHFFFAOYSA-N
XLogP34.96
TPSA90.35 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms135
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001737.08
LogP ≤ 534.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 12-(4-methylphenyl)-[1]benzofuro[2,3-a]carbazole;12-(4-methylphenyl)-[1]benzofuro[3,2-a]carbazole;7-(3-methylphenyl)-[1]benzofuro[2,3-b]carbazole;11-(3-methylphenyl)-[1]benzofuro[3,2-b]carbazole;5-(3-methylphenyl)-[1]benzofuro[3,2-c]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 12-(4-methylphenyl)-[1]benzofuro[2,3-a]carbazole;12-(4-methylphenyl)-[1]benzofuro[3,2-a]carbazole;7-(3-methylphenyl)-[1]benzofuro[2,3-b]carbazole;11-(3-methylphenyl)-[1]benzofuro[3,2-b]carbazole;5-(3-methylphenyl)-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 12-(4-methylphenyl)-[1]benzofuro[2,3-a]carbazole;12-(4-methylphenyl)-[1]benzofuro[3,2-a]carbazole;7-(3-methylphenyl)-[1]benzofuro[2,3-b]carbazole;11-(3-methylphenyl)-[1]benzofuro[3,2-b]carbazole;5-(3-methylphenyl)-[1]benzofuro[3,2-c]carbazole (CID 158709944) is 12-(4-methylphenyl)-[1]benzofuro[2,3-a]carbazole;12-(4-methylphenyl)-[1]benzofuro[3,2-a]carbazole;7-(3-methylphenyl)-[1]benzofuro[2,3-b]carbazole;11-(3-methylphenyl)-[1]benzofuro[3,2-b]carbazole;5-(3-methylphenyl)-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 12-(4-methylphenyl)-[1]benzofuro[2,3-a]carbazole;12-(4-methylphenyl)-[1]benzofuro[3,2-a]carbazole;7-(3-methylphenyl)-[1]benzofuro[2,3-b]carbazole;11-(3-methylphenyl)-[1]benzofuro[3,2-b]carbazole;5-(3-methylphenyl)-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 12-(4-methylphenyl)-[1]benzofuro[2,3-a]carbazole;12-(4-methylphenyl)-[1]benzofuro[3,2-a]carbazole;7-(3-methylphenyl)-[1]benzofuro[2,3-b]carbazole;11-(3-methylphenyl)-[1]benzofuro[3,2-b]carbazole;5-(3-methylphenyl)-[1]benzofuro[3,2-c]carbazole is Cc1ccc(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)cc1.Cc1ccc(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)cc1.Cc1cccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1.Cc1cccc(-n2c3ccccc3c3cc4c(cc32)oc2ccccc24)c1.Cc1cccc(-n2c3ccccc3c3cc4oc5ccccc5c4cc32)c1.
What is the InChIKey of 12-(4-methylphenyl)-[1]benzofuro[2,3-a]carbazole;12-(4-methylphenyl)-[1]benzofuro[3,2-a]carbazole;7-(3-methylphenyl)-[1]benzofuro[2,3-b]carbazole;11-(3-methylphenyl)-[1]benzofuro[3,2-b]carbazole;5-(3-methylphenyl)-[1]benzofuro[3,2-c]carbazole?
The InChIKey is IIPANMFKYMVBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/5C25H17NO/c1-16-7-6-8-17(15-16)26-21-11-4-2-10-20(21)24-22(26)14-13-19-18-9-3-5-12-23(18)27-25(19)24;1-16-7-6-8-17(13-16)26-22-11-4-2-9-18(22)20-15-25-21(14-23(20)26)19-10-3-5-12-24(19)27-25;1-16-7-6-8-17(13-16)26-22-11-4-2-9-18(22)20-14-21-19-10-3-5-12-24(19)27-25(21)15-23(20)26;1-16-10-12-17(13-11-16)26-21-8-4-2-6-18(21)19-14-15-23-24(25(19)26)20-7-3-5-9-22(20)27-23;1-16-10-12-17(13-11-16)26-22-8-4-2-6-18(22)20-14-15-21-19-7-3-5-9-23(19)27-25(21)24(20)26/h5*2-15H,1H3.
What are the key properties of 12-(4-methylphenyl)-[1]benzofuro[2,3-a]carbazole;12-(4-methylphenyl)-[1]benzofuro[3,2-a]carbazole;7-(3-methylphenyl)-[1]benzofuro[2,3-b]carbazole;11-(3-methylphenyl)-[1]benzofuro[3,2-b]carbazole;5-(3-methylphenyl)-[1]benzofuro[3,2-c]carbazole?
12-(4-methylphenyl)-[1]benzofuro[2,3-a]carbazole;12-(4-methylphenyl)-[1]benzofuro[3,2-a]carbazole;7-(3-methylphenyl)-[1]benzofuro[2,3-b]carbazole;11-(3-methylphenyl)-[1]benzofuro[3,2-b]carbazole;5-(3-methylphenyl)-[1]benzofuro[3,2-c]carbazole has a molecular weight of 1737.08 g/mol, XLogP of 34.96, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4-methylphenyl)-[1]benzofuro[2,3-a]carbazole;12-(4-methylphenyl)-[1]benzofuro[3,2-a]carbazole;7-(3-methylphenyl)-[1]benzofuro[2,3-b]carbazole;11-(3-methylphenyl)-[1]benzofuro[3,2-b]carbazole;5-(3-methylphenyl)-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 158709944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).