12-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole

C48H30N2O — CID 166510073

IUPAC12-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
SMILESc1cc(-c2ccc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)cc3)cc2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C48H30N2O/c1-5-16-43-37(12-1)38-13-2-6-17-44(38)49(43)36-11-9-10-34(30-36)33-22-20-31(21-23-33)32-24-26-35(27-25-32)50-45-18-7-3-14-39(45)41-28-29-42-40-15-4-8-19-46(40)51-48(42)47(41)50/h1-30H
InChIKeyMNLVGZBGSBHYEL-UHFFFAOYSA-N
MW650.78 g/mol
LogP13.11
Rot. Bonds4

About 12-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole

12-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole (PubChem CID 166510073) has the molecular formula C48H30N2O and a molecular weight of 650.78 g/mol. Its IUPAC name is 12-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name12-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
PubChem CID166510073
Molecular FormulaC48H30N2O
Molecular Weight650.78 g/mol
Exact Mass650.24
IUPAC Name12-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
SMILESc1cc(-c2ccc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)cc3)cc2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C48H30N2O/c1-5-16-43-37(12-1)38-13-2-6-17-44(38)49(43)36-11-9-10-34(30-36)33-22-20-31(21-23-33)32-24-26-35(27-25-32)50-45-18-7-3-14-39(45)41-28-29-42-40-15-4-8-19-46(40)51-48(42)47(41)50/h1-30H
InChIKeyMNLVGZBGSBHYEL-UHFFFAOYSA-N
XLogP13.11
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.78
LogP ≤ 513.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

12-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 163763332
12-(3-triphenylen-2-ylphenyl)-[1]benzofuro[2,3-a]carbazole
CID 122548581
12-[4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 166510159
12-[4-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 166509852
12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-phenylphenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-phenylphenyl]-5-phenylphenyl]-[1]benzofuro[2,3-a]carbazole;14-[3-(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-nonaen-14-yl)phenyl]-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
CID 159106618
3-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole;12-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 160760258
7-[4-[4-[2-[4-[3-[9-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-7-phenylcarbazol-2-yl]phenyl]phenyl]-7-phenylcarbazol-9-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole
CID 167192720
12-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 126580353
12-(4-dibenzofuran-4-ylphenyl)-2,11-diphenylindolo[2,3-a]carbazole
CID 126580151
11,12-bis(4-phenylphenyl)indolo[2,3-a]carbazole;2-carbazol-9-yl-5,7-diphenylindolo[2,3-b]carbazole;2-dibenzofuran-4-yl-5,7-diphenylindolo[2,3-b]carbazole;12-(3-phenylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 161096514
15-phenyl-11-[4-(6-phenyl-2-pyridinyl)phenyl]-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene
CID 129141926
3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-5-carbazol-9-ylbenzonitrile
CID 129290927

Frequently Asked Questions

What is the IUPAC name of 12-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 12-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole (CID 166510073) is 12-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 12-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 12-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole is c1cc(-c2ccc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)cc3)cc2)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 12-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole?
The InChIKey is MNLVGZBGSBHYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2O/c1-5-16-43-37(12-1)38-13-2-6-17-44(38)49(43)36-11-9-10-34(30-36)33-22-20-31(21-23-33)32-24-26-35(27-25-32)50-45-18-7-3-14-39(45)41-28-29-42-40-15-4-8-19-46(40)51-48(42)47(41)50/h1-30H.
What are the key properties of 12-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole?
12-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole has a molecular weight of 650.78 g/mol, XLogP of 13.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 166510073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).