6-methyl-8-(9-phenylcarbazol-3-yl)-11-(4-phenylphenyl)-[1]benzofuro[3,2-b]carbazole

C49H32N2O — CID 121344535

IUPAC6-methyl-8-(9-phenylcarbazol-3-yl)-11-(4-phenylphenyl)-[1]benzofuro[3,2-b]carbazole
SMILESCc1c2oc3ccccc3c2cc2c1c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc1n2-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C49H32N2O/c1-31-48-42-29-35(34-22-26-44-40(28-34)38-16-8-10-18-43(38)50(44)36-14-6-3-7-15-36)23-27-45(42)51(37-24-20-33(21-25-37)32-12-4-2-5-13-32)46(48)30-41-39-17-9-11-19-47(39)52-49(31)41/h2-30H,1H3
InChIKeyUYJJHLHFBUMYQS-UHFFFAOYSA-N
MW664.81 g/mol
LogP13.42
Rot. Bonds4

About 6-methyl-8-(9-phenylcarbazol-3-yl)-11-(4-phenylphenyl)-[1]benzofuro[3,2-b]carbazole

6-methyl-8-(9-phenylcarbazol-3-yl)-11-(4-phenylphenyl)-[1]benzofuro[3,2-b]carbazole (PubChem CID 121344535) has the molecular formula C49H32N2O and a molecular weight of 664.81 g/mol. Its IUPAC name is 6-methyl-8-(9-phenylcarbazol-3-yl)-11-(4-phenylphenyl)-[1]benzofuro[3,2-b]carbazole.

Molecular Properties

Compound Name6-methyl-8-(9-phenylcarbazol-3-yl)-11-(4-phenylphenyl)-[1]benzofuro[3,2-b]carbazole
PubChem CID121344535
Molecular FormulaC49H32N2O
Molecular Weight664.81 g/mol
Exact Mass664.25
IUPAC Name6-methyl-8-(9-phenylcarbazol-3-yl)-11-(4-phenylphenyl)-[1]benzofuro[3,2-b]carbazole
SMILESCc1c2oc3ccccc3c2cc2c1c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc1n2-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C49H32N2O/c1-31-48-42-29-35(34-22-26-44-40(28-34)38-16-8-10-18-43(38)50(44)36-14-6-3-7-15-36)23-27-45(42)51(37-24-20-33(21-25-37)32-12-4-2-5-13-32)46(48)30-41-39-17-9-11-19-47(39)52-49(31)41/h2-30H,1H3
InChIKeyUYJJHLHFBUMYQS-UHFFFAOYSA-N
XLogP13.42
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.81
LogP ≤ 513.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 167193138
3-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 129065102
3,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158173584
28-(4-carbazol-9-ylphenyl)-24-phenyl-14-oxa-24-azaheptacyclo[19.11.0.02,7.08,13.015,20.023,31.025,30]dotriaconta-1(32),2,4,6,8,10,12,15,17,19,21,23(31),25(30),26,28-pentadecaene
CID 130294395
2-[9-(2-phenyldibenzofuran-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 167201110
2-(9-phenylcarbazol-3-yl)-9-(2-phenyldibenzofuran-4-yl)carbazole
CID 167200544
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 167278242
3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 134313296
3-[4-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)carbazole
CID 146187490
3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 121262432
3-[3-(4-carbazol-9-yldibenzofuran-2-yl)phenyl]-9-phenylcarbazole;ethane
CID 144723930
3-(8-dibenzofuran-2-yldibenzofuran-2-yl)-6,9-diphenylcarbazole
CID 71278016

Frequently Asked Questions

What is the IUPAC name of 6-methyl-8-(9-phenylcarbazol-3-yl)-11-(4-phenylphenyl)-[1]benzofuro[3,2-b]carbazole?
The IUPAC name of 6-methyl-8-(9-phenylcarbazol-3-yl)-11-(4-phenylphenyl)-[1]benzofuro[3,2-b]carbazole (CID 121344535) is 6-methyl-8-(9-phenylcarbazol-3-yl)-11-(4-phenylphenyl)-[1]benzofuro[3,2-b]carbazole.
What is the SMILES notation for 6-methyl-8-(9-phenylcarbazol-3-yl)-11-(4-phenylphenyl)-[1]benzofuro[3,2-b]carbazole?
The canonical SMILES for 6-methyl-8-(9-phenylcarbazol-3-yl)-11-(4-phenylphenyl)-[1]benzofuro[3,2-b]carbazole is Cc1c2oc3ccccc3c2cc2c1c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc1n2-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 6-methyl-8-(9-phenylcarbazol-3-yl)-11-(4-phenylphenyl)-[1]benzofuro[3,2-b]carbazole?
The InChIKey is UYJJHLHFBUMYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N2O/c1-31-48-42-29-35(34-22-26-44-40(28-34)38-16-8-10-18-43(38)50(44)36-14-6-3-7-15-36)23-27-45(42)51(37-24-20-33(21-25-37)32-12-4-2-5-13-32)46(48)30-41-39-17-9-11-19-47(39)52-49(31)41/h2-30H,1H3.
What are the key properties of 6-methyl-8-(9-phenylcarbazol-3-yl)-11-(4-phenylphenyl)-[1]benzofuro[3,2-b]carbazole?
6-methyl-8-(9-phenylcarbazol-3-yl)-11-(4-phenylphenyl)-[1]benzofuro[3,2-b]carbazole has a molecular weight of 664.81 g/mol, XLogP of 13.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-8-(9-phenylcarbazol-3-yl)-11-(4-phenylphenyl)-[1]benzofuro[3,2-b]carbazole is sourced from PubChem (CID 121344535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).