6-cyclohexa-1,5-dien-1-yl-3-[3-(3,4-dihydrocarbazol-9-yl)carbazol-9-yl]-[1]benzofuro[2,3-b]pyridine

C41H29N3O — CID 163714938

IUPAC6-cyclohexa-1,5-dien-1-yl-3-[3-(3,4-dihydrocarbazol-9-yl)carbazol-9-yl]-[1]benzofuro[2,3-b]pyridine
SMILESC1=CC(c2ccc3oc4ncc(-n5c6ccccc6c6cc(-n7c8c(c9ccccc97)CCC=C8)ccc65)cc4c3c2)=CCC1
InChIInChI=1S/C41H29N3O/c1-2-10-26(11-3-1)27-18-21-40-34(22-27)35-24-29(25-42-41(35)45-40)44-38-17-9-6-14-32(38)33-23-28(19-20-39(33)44)43-36-15-7-4-12-30(36)31-13-5-8-16-37(31)43/h2,4,6-12,14-25H,1,3,5,13H2
InChIKeyKMMYLHKHNUZREJ-UHFFFAOYSA-N
MW579.70 g/mol
LogP10.71
Rot. Bonds3

About 6-cyclohexa-1,5-dien-1-yl-3-[3-(3,4-dihydrocarbazol-9-yl)carbazol-9-yl]-[1]benzofuro[2,3-b]pyridine

6-cyclohexa-1,5-dien-1-yl-3-[3-(3,4-dihydrocarbazol-9-yl)carbazol-9-yl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 163714938) has the molecular formula C41H29N3O and a molecular weight of 579.70 g/mol. Its IUPAC name is 6-cyclohexa-1,5-dien-1-yl-3-[3-(3,4-dihydrocarbazol-9-yl)carbazol-9-yl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name6-cyclohexa-1,5-dien-1-yl-3-[3-(3,4-dihydrocarbazol-9-yl)carbazol-9-yl]-[1]benzofuro[2,3-b]pyridine
PubChem CID163714938
Molecular FormulaC41H29N3O
Molecular Weight579.70 g/mol
Exact Mass579.23
IUPAC Name6-cyclohexa-1,5-dien-1-yl-3-[3-(3,4-dihydrocarbazol-9-yl)carbazol-9-yl]-[1]benzofuro[2,3-b]pyridine
SMILESC1=CC(c2ccc3oc4ncc(-n5c6ccccc6c6cc(-n7c8c(c9ccccc97)CCC=C8)ccc65)cc4c3c2)=CCC1
InChIInChI=1S/C41H29N3O/c1-2-10-26(11-3-1)27-18-21-40-34(22-27)35-24-29(25-42-41(35)45-40)44-38-17-9-6-14-32(38)33-23-28(19-20-39(33)44)43-36-15-7-4-12-30(36)31-13-5-8-16-37(31)43/h2,4,6-12,14-25H,1,3,5,13H2
InChIKeyKMMYLHKHNUZREJ-UHFFFAOYSA-N
XLogP10.71
TPSA35.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.70
LogP ≤ 510.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-cyclohexa-1,5-dien-1-yl-3-[3-(3,4-dihydrocarbazol-9-yl)carbazol-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-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-[1]benzofuro[2,3-b]pyridine;3,6-di(carbazol-9-yl)-[1]benzofuro[2,3-b]pyridine
CID 157254942
6,24-di(dibenzofuran-2-yl)-10-(3,4-dihydrocarbazol-9-yl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaene
CID 166003071
3-[6-(3,4-dihydrocarbazol-9-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 144585567
6-carbazol-9-yl-3-methyl-[1]benzofuro[2,3-b]pyridine
CID 118329821
9-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenylcarbazole
CID 130456805
12-dibenzofuran-2-yl-5-dibenzofuran-3-yl-8,9-dihydroindolo[3,2-c]carbazole
CID 167029821
9-(4-phenylphenyl)-3-[9-(3-phenylphenyl)-5,6-dihydrocarbazol-2-yl]carbazole
CID 123902449
9-[4-[3-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,4,6-trifluoro-5-phenylphenyl]phenyl]carbazole
CID 142867828
9-[4-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,5-dimethylphenyl]phenyl]carbazole
CID 71097259
5-[3-[8-(3,4-dihydrocarbazol-9-yl)dibenzofuran-2-yl]phenyl]benzimidazolo[1,2-a]benzimidazole
CID 146532365
[6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-b]pyridin-3-yl]-triphenylsilane
CID 156664880
3-[10-(3-cyclohexa-1,5-dien-1-ylphenyl)-9,10-dihydrophenanthren-3-yl]-9-dibenzofuran-2-ylcarbazole
CID 167289275

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexa-1,5-dien-1-yl-3-[3-(3,4-dihydrocarbazol-9-yl)carbazol-9-yl]-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 6-cyclohexa-1,5-dien-1-yl-3-[3-(3,4-dihydrocarbazol-9-yl)carbazol-9-yl]-[1]benzofuro[2,3-b]pyridine (CID 163714938) is 6-cyclohexa-1,5-dien-1-yl-3-[3-(3,4-dihydrocarbazol-9-yl)carbazol-9-yl]-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 6-cyclohexa-1,5-dien-1-yl-3-[3-(3,4-dihydrocarbazol-9-yl)carbazol-9-yl]-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 6-cyclohexa-1,5-dien-1-yl-3-[3-(3,4-dihydrocarbazol-9-yl)carbazol-9-yl]-[1]benzofuro[2,3-b]pyridine is C1=CC(c2ccc3oc4ncc(-n5c6ccccc6c6cc(-n7c8c(c9ccccc97)CCC=C8)ccc65)cc4c3c2)=CCC1.
What is the InChIKey of 6-cyclohexa-1,5-dien-1-yl-3-[3-(3,4-dihydrocarbazol-9-yl)carbazol-9-yl]-[1]benzofuro[2,3-b]pyridine?
The InChIKey is KMMYLHKHNUZREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H29N3O/c1-2-10-26(11-3-1)27-18-21-40-34(22-27)35-24-29(25-42-41(35)45-40)44-38-17-9-6-14-32(38)33-23-28(19-20-39(33)44)43-36-15-7-4-12-30(36)31-13-5-8-16-37(31)43/h2,4,6-12,14-25H,1,3,5,13H2.
What are the key properties of 6-cyclohexa-1,5-dien-1-yl-3-[3-(3,4-dihydrocarbazol-9-yl)carbazol-9-yl]-[1]benzofuro[2,3-b]pyridine?
6-cyclohexa-1,5-dien-1-yl-3-[3-(3,4-dihydrocarbazol-9-yl)carbazol-9-yl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 579.70 g/mol, XLogP of 10.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexa-1,5-dien-1-yl-3-[3-(3,4-dihydrocarbazol-9-yl)carbazol-9-yl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 163714938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).