3-carbazol-9-yl-1-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine

C47H28N4O — CID 59413710

IUPAC3-carbazol-9-yl-1-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine
SMILESc1ccc2c(c1)oc1c(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)nc(-n3c4ccccc4c4ccccc43)cc12
InChIInChI=1S/C47H28N4O/c1-7-19-38-30(13-1)31-14-2-8-20-39(31)49(38)29-25-26-43-36(27-29)34-17-5-11-23-42(34)51(43)47-46-37(35-18-6-12-24-44(35)52-46)28-45(48-47)50-40-21-9-3-15-32(40)33-16-4-10-22-41(33)50/h1-28H
InChIKeyBEMOVYDZAPOGHS-UHFFFAOYSA-N
MW664.77 g/mol
LogP12.27
Rot. Bonds3

About 3-carbazol-9-yl-1-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine

3-carbazol-9-yl-1-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine (PubChem CID 59413710) has the molecular formula C47H28N4O and a molecular weight of 664.77 g/mol. Its IUPAC name is 3-carbazol-9-yl-1-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

Compound Name3-carbazol-9-yl-1-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine
PubChem CID59413710
Molecular FormulaC47H28N4O
Molecular Weight664.77 g/mol
Exact Mass664.23
IUPAC Name3-carbazol-9-yl-1-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine
SMILESc1ccc2c(c1)oc1c(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)nc(-n3c4ccccc4c4ccccc43)cc12
InChIInChI=1S/C47H28N4O/c1-7-19-38-30(13-1)31-14-2-8-20-39(31)49(38)29-25-26-43-36(27-29)34-17-5-11-23-42(34)51(43)47-46-37(35-18-6-12-24-44(35)52-46)28-45(48-47)50-40-21-9-3-15-32(40)33-16-4-10-22-41(33)50/h1-28H
InChIKeyBEMOVYDZAPOGHS-UHFFFAOYSA-N
XLogP12.27
TPSA40.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.77
LogP ≤ 512.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-carbazol-9-yl-1-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine;3-carbazol-9-yl-1-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine;6-carbazol-9-yl-1-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine
CID 157234623
3-carbazol-9-yl-1-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine;3,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-b]pyridine;4,8-di(carbazol-9-yl)-[1]benzothiolo[3,2-c]pyridine
CID 159484267
6-benzyl-1,3-di(carbazol-9-yl)-[1]benzofuro[2,3-c]pyridine
CID 155029347
3-carbazol-9-yl-9-(7-carbazol-9-yldibenzofuran-3-yl)carbazole
CID 123285372
3-carbazol-9-yl-9-(4-trityldibenzofuran-2-yl)carbazole
CID 171399894
7-[2,3-bis([1]benzofuro[2,3-b]carbazol-7-yl)quinoxalin-6-yl]-[1]benzofuro[2,3-b]carbazole
CID 126631130
9-(16-carbazol-9-yl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl)carbazole
CID 59147402
9-dibenzofuran-2-yl-3-methylcarbazole
CID 90211137
3-carbazol-9-yl-9-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(9-dibenzofuran-3-ylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazole
CID 161172742
3-dibenzofuran-4-yl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170132775
3-carbazol-9-yl-9-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 147108476
9-[9-(2-cyanodibenzofuran-4-yl)carbazol-3-yl]carbazole-3,6-dicarbonitrile
CID 122501143

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-1-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine?
The IUPAC name of 3-carbazol-9-yl-1-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine (CID 59413710) is 3-carbazol-9-yl-1-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine.
What is the SMILES notation for 3-carbazol-9-yl-1-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine?
The canonical SMILES for 3-carbazol-9-yl-1-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine is c1ccc2c(c1)oc1c(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)nc(-n3c4ccccc4c4ccccc43)cc12.
What is the InChIKey of 3-carbazol-9-yl-1-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine?
The InChIKey is BEMOVYDZAPOGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28N4O/c1-7-19-38-30(13-1)31-14-2-8-20-39(31)49(38)29-25-26-43-36(27-29)34-17-5-11-23-42(34)51(43)47-46-37(35-18-6-12-24-44(35)52-46)28-45(48-47)50-40-21-9-3-15-32(40)33-16-4-10-22-41(33)50/h1-28H.
What are the key properties of 3-carbazol-9-yl-1-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine?
3-carbazol-9-yl-1-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine has a molecular weight of 664.77 g/mol, XLogP of 12.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-1-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 59413710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).