2-carbazol-9-yl-5-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-b]pyridine

C47H28N4O — CID 171723066

IUPAC2-carbazol-9-yl-5-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-b]pyridine
SMILESc1cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c2c(c1)oc1nc(-n3c4ccccc4c4ccccc43)ccc12
InChIInChI=1S/C47H28N4O/c1-6-17-37-30(12-1)31-13-2-7-18-38(31)49(37)29-24-26-42-36(28-29)34-16-5-8-19-39(34)50(42)43-22-11-23-44-46(43)35-25-27-45(48-47(35)52-44)51-40-20-9-3-14-32(40)33-15-4-10-21-41(33)51/h1-28H
InChIKeyGOKLPVDJTLAMIA-UHFFFAOYSA-N
MW664.77 g/mol
LogP12.27
Rot. Bonds3

About 2-carbazol-9-yl-5-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-b]pyridine

2-carbazol-9-yl-5-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-b]pyridine (PubChem CID 171723066) has the molecular formula C47H28N4O and a molecular weight of 664.77 g/mol. Its IUPAC name is 2-carbazol-9-yl-5-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name2-carbazol-9-yl-5-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-b]pyridine
PubChem CID171723066
Molecular FormulaC47H28N4O
Molecular Weight664.77 g/mol
Exact Mass664.23
IUPAC Name2-carbazol-9-yl-5-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-b]pyridine
SMILESc1cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c2c(c1)oc1nc(-n3c4ccccc4c4ccccc43)ccc12
InChIInChI=1S/C47H28N4O/c1-6-17-37-30(12-1)31-13-2-7-18-38(31)49(37)29-24-26-42-36(28-29)34-16-5-8-19-39(34)50(42)43-22-11-23-44-46(43)35-25-27-45(48-47(35)52-44)51-40-20-9-3-14-32(40)33-15-4-10-21-41(33)51/h1-28H
InChIKeyGOKLPVDJTLAMIA-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 2-carbazol-9-yl-5-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-b]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

3-carbazol-9-yl-9-[9-(9-carbazol-9-yldibenzofuran-3-yl)carbazol-3-yl]carbazole
CID 176831734
3-carbazol-9-yl-9-(8-carbazol-9-yldibenzofuran-1-yl)carbazole
CID 176831663
3-(4-carbazol-9-ylcarbazol-9-yl)-9-triphenylen-2-ylcarbazole
CID 134240254
3-carbazol-9-yl-9-[9-(2-carbazol-9-ylphenyl)carbazol-3-yl]carbazole
CID 167209844
3-(4-carbazol-9-ylcarbazol-9-yl)-9-naphthalen-1-ylcarbazole
CID 134240253
3-carbazol-9-yl-9-(6-carbazol-9-yl-2-pyridinyl)carbazole;3-carbazol-9-yl-9-(6-carbazol-9-yl-3-pyridinyl)carbazole;3,6-di(carbazol-9-yl)-9-(6-carbazol-9-yl-2-pyridinyl)carbazole
CID 157053515
3-carbazol-9-yl-9-[6-carbazol-9-yl-4-(2-carbazol-9-ylphenyl)-2-pyridinyl]carbazole
CID 146626081
3-carbazol-9-yl-9-(3-phenyldibenzofuran-1-yl)carbazole
CID 170386086
3-carbazol-9-yl-9-(7-carbazol-9-yldibenzofuran-3-yl)carbazole
CID 123285372
3-carbazol-9-yl-9-[9-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-1-yl]carbazole
CID 176831685
3-[2,6-bis(9-dibenzofuran-1-ylcarbazol-3-yl)-4-pyridinyl]-9-dibenzofuran-1-ylcarbazole
CID 90291738
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

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-5-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 2-carbazol-9-yl-5-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-b]pyridine (CID 171723066) is 2-carbazol-9-yl-5-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 2-carbazol-9-yl-5-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 2-carbazol-9-yl-5-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-b]pyridine is c1cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c2c(c1)oc1nc(-n3c4ccccc4c4ccccc43)ccc12.
What is the InChIKey of 2-carbazol-9-yl-5-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-b]pyridine?
The InChIKey is GOKLPVDJTLAMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28N4O/c1-6-17-37-30(12-1)31-13-2-7-18-38(31)49(37)29-24-26-42-36(28-29)34-16-5-8-19-39(34)50(42)43-22-11-23-44-46(43)35-25-27-45(48-47(35)52-44)51-40-20-9-3-14-32(40)33-15-4-10-21-41(33)51/h1-28H.
What are the key properties of 2-carbazol-9-yl-5-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-b]pyridine?
2-carbazol-9-yl-5-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-b]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 2-carbazol-9-yl-5-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 171723066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).