1-[6-[9-([1]benzofuro[2,3-c]pyridin-1-yl)-4b,8a-dihydrocarbazol-3-yl]-2,3-dihydrocarbazol-9-yl]-[1]benzofuro[2,3-c]pyridine

C46H30N4O2 — CID 163522843

IUPAC1-[6-[9-([1]benzofuro[2,3-c]pyridin-1-yl)-4b,8a-dihydrocarbazol-3-yl]-2,3-dihydrocarbazol-9-yl]-[1]benzofuro[2,3-c]pyridine
SMILESC1=CC2c3cc(-c4ccc5c(c4)c4c(n5-c5nccc6c5oc5ccccc56)=CCCC=4)ccc3N(c3nccc4c3oc3ccccc34)C2C=C1
InChIInChI=1S/C46H30N4O2/c1-5-13-37-29(9-1)35-25-27(17-19-39(35)49(37)45-43-33(21-23-47-45)31-11-3-7-15-41(31)51-43)28-18-20-40-36(26-28)30-10-2-6-14-38(30)50(40)46-44-34(22-24-48-46)32-12-4-8-16-42(32)52-44/h1,3-5,7-26,29,37H,2,6H2
InChIKeyDMIFSPHJNMSLSG-UHFFFAOYSA-N
MW670.77 g/mol
LogP9.97
Rot. Bonds3

About 1-[6-[9-([1]benzofuro[2,3-c]pyridin-1-yl)-4b,8a-dihydrocarbazol-3-yl]-2,3-dihydrocarbazol-9-yl]-[1]benzofuro[2,3-c]pyridine

1-[6-[9-([1]benzofuro[2,3-c]pyridin-1-yl)-4b,8a-dihydrocarbazol-3-yl]-2,3-dihydrocarbazol-9-yl]-[1]benzofuro[2,3-c]pyridine (PubChem CID 163522843) has the molecular formula C46H30N4O2 and a molecular weight of 670.77 g/mol. Its IUPAC name is 1-[6-[9-([1]benzofuro[2,3-c]pyridin-1-yl)-4b,8a-dihydrocarbazol-3-yl]-2,3-dihydrocarbazol-9-yl]-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

Compound Name1-[6-[9-([1]benzofuro[2,3-c]pyridin-1-yl)-4b,8a-dihydrocarbazol-3-yl]-2,3-dihydrocarbazol-9-yl]-[1]benzofuro[2,3-c]pyridine
PubChem CID163522843
Molecular FormulaC46H30N4O2
Molecular Weight670.77 g/mol
Exact Mass670.24
IUPAC Name1-[6-[9-([1]benzofuro[2,3-c]pyridin-1-yl)-4b,8a-dihydrocarbazol-3-yl]-2,3-dihydrocarbazol-9-yl]-[1]benzofuro[2,3-c]pyridine
SMILESC1=CC2c3cc(-c4ccc5c(c4)c4c(n5-c5nccc6c5oc5ccccc56)=CCCC=4)ccc3N(c3nccc4c3oc3ccccc34)C2C=C1
InChIInChI=1S/C46H30N4O2/c1-5-13-37-29(9-1)35-25-27(17-19-39(35)49(37)45-43-33(21-23-47-45)31-11-3-7-15-41(31)51-43)28-18-20-40-36(26-28)30-10-2-6-14-38(30)50(40)46-44-34(22-24-48-46)32-12-4-8-16-42(32)52-44/h1,3-5,7-26,29,37H,2,6H2
InChIKeyDMIFSPHJNMSLSG-UHFFFAOYSA-N
XLogP9.97
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.77
LogP ≤ 59.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[6-[9-([1]benzofuro[2,3-c]pyridin-1-yl)-4b,8a-dihydrocarbazol-3-yl]-2,3-dihydrocarbazol-9-yl]-[1]benzofuro[2,3-c]pyridine with MolForge

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Related Compounds

N-[4-(9-naphtho[1,2-b][1]benzofuran-5-yl-4b,8a-dihydrocarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 144554231
1-(3-iodocarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine
CID 167193903
1-[3-[9-([1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-3-yl]carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine;1-[3-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[2,3-c]pyridine
CID 158552682
9-(4-dibenzofuran-4-ylphenyl)-3-[(9-phenyl-4b,8a-dihydrocarbazol-3-yl)methyl]carbazole
CID 155237382
(4aR)-9-dibenzofuran-2-yl-6-(2,4,6-trimethylphenyl)-4a,9a-dihydrocarbazole
CID 71248620
9-[8-[6-[8-carbazol-9-yl-2-(3-carbazol-9-ylphenyl)dibenzofuran-4-yl]-4a,9a-dihydrocarbazol-9-yl]dibenzofuran-4-yl]carbazole
CID 163934988
3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 123217944
9-(4-phenylphenyl)-3-[9-[4-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 170269959
9-(3-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 170079369
9-phenyl-2-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole
CID 144596228
9-phenyl-3-[9-(4-pyridin-3-ylphenyl)-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 129074552
7-[9-(2-phenyldibenzofuran-4-yl)-4b,8a-dihydrocarbazol-2-yl]-9-(2-phenylphenyl)-1,2-dihydrocarbazole
CID 167200383

Frequently Asked Questions

What is the IUPAC name of 1-[6-[9-([1]benzofuro[2,3-c]pyridin-1-yl)-4b,8a-dihydrocarbazol-3-yl]-2,3-dihydrocarbazol-9-yl]-[1]benzofuro[2,3-c]pyridine?
The IUPAC name of 1-[6-[9-([1]benzofuro[2,3-c]pyridin-1-yl)-4b,8a-dihydrocarbazol-3-yl]-2,3-dihydrocarbazol-9-yl]-[1]benzofuro[2,3-c]pyridine (CID 163522843) is 1-[6-[9-([1]benzofuro[2,3-c]pyridin-1-yl)-4b,8a-dihydrocarbazol-3-yl]-2,3-dihydrocarbazol-9-yl]-[1]benzofuro[2,3-c]pyridine.
What is the SMILES notation for 1-[6-[9-([1]benzofuro[2,3-c]pyridin-1-yl)-4b,8a-dihydrocarbazol-3-yl]-2,3-dihydrocarbazol-9-yl]-[1]benzofuro[2,3-c]pyridine?
The canonical SMILES for 1-[6-[9-([1]benzofuro[2,3-c]pyridin-1-yl)-4b,8a-dihydrocarbazol-3-yl]-2,3-dihydrocarbazol-9-yl]-[1]benzofuro[2,3-c]pyridine is C1=CC2c3cc(-c4ccc5c(c4)c4c(n5-c5nccc6c5oc5ccccc56)=CCCC=4)ccc3N(c3nccc4c3oc3ccccc34)C2C=C1.
What is the InChIKey of 1-[6-[9-([1]benzofuro[2,3-c]pyridin-1-yl)-4b,8a-dihydrocarbazol-3-yl]-2,3-dihydrocarbazol-9-yl]-[1]benzofuro[2,3-c]pyridine?
The InChIKey is DMIFSPHJNMSLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N4O2/c1-5-13-37-29(9-1)35-25-27(17-19-39(35)49(37)45-43-33(21-23-47-45)31-11-3-7-15-41(31)51-43)28-18-20-40-36(26-28)30-10-2-6-14-38(30)50(40)46-44-34(22-24-48-46)32-12-4-8-16-42(32)52-44/h1,3-5,7-26,29,37H,2,6H2.
What are the key properties of 1-[6-[9-([1]benzofuro[2,3-c]pyridin-1-yl)-4b,8a-dihydrocarbazol-3-yl]-2,3-dihydrocarbazol-9-yl]-[1]benzofuro[2,3-c]pyridine?
1-[6-[9-([1]benzofuro[2,3-c]pyridin-1-yl)-4b,8a-dihydrocarbazol-3-yl]-2,3-dihydrocarbazol-9-yl]-[1]benzofuro[2,3-c]pyridine has a molecular weight of 670.77 g/mol, XLogP of 9.97, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[9-([1]benzofuro[2,3-c]pyridin-1-yl)-4b,8a-dihydrocarbazol-3-yl]-2,3-dihydrocarbazol-9-yl]-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 163522843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).