9H-carbazole;4H-cyclopenta[b]furan;dibenzofuran;1,4-dihydrocyclopenta[b]pyrrole

C38H30N2O2 — CID 159045121

IUPAC9H-carbazole;4H-cyclopenta[b]furan;dibenzofuran;1,4-dihydrocyclopenta[b]pyrrole
SMILESC1=Cc2[nH]ccc2C1.C1=Cc2occc2C1.c1ccc2c(c1)[nH]c1ccccc12.c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C12H9N.C12H8O.C7H7N.C7H6O/c2*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;2*1-2-6-4-5-8-7(6)3-1/h1-8,13H;1-8H;1,3-5,8H,2H2;1,3-5H,2H2
InChIKeyJWOBXMLQDMFERN-UHFFFAOYSA-N
MW546.67 g/mol
LogP10.34
Rot. Bonds

About 9H-carbazole;4H-cyclopenta[b]furan;dibenzofuran;1,4-dihydrocyclopenta[b]pyrrole

9H-carbazole;4H-cyclopenta[b]furan;dibenzofuran;1,4-dihydrocyclopenta[b]pyrrole (PubChem CID 159045121) has the molecular formula C38H30N2O2 and a molecular weight of 546.67 g/mol. Its IUPAC name is 9H-carbazole;4H-cyclopenta[b]furan;dibenzofuran;1,4-dihydrocyclopenta[b]pyrrole.

Molecular Properties

Compound Name9H-carbazole;4H-cyclopenta[b]furan;dibenzofuran;1,4-dihydrocyclopenta[b]pyrrole
PubChem CID159045121
Molecular FormulaC38H30N2O2
Molecular Weight546.67 g/mol
Exact Mass546.23
IUPAC Name9H-carbazole;4H-cyclopenta[b]furan;dibenzofuran;1,4-dihydrocyclopenta[b]pyrrole
SMILESC1=Cc2[nH]ccc2C1.C1=Cc2occc2C1.c1ccc2c(c1)[nH]c1ccccc12.c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C12H9N.C12H8O.C7H7N.C7H6O/c2*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;2*1-2-6-4-5-8-7(6)3-1/h1-8,13H;1-8H;1,3-5,8H,2H2;1,3-5H,2H2
InChIKeyJWOBXMLQDMFERN-UHFFFAOYSA-N
XLogP10.34
TPSA57.86 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.67
LogP ≤ 510.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3Z)-5-(5-{[(2S)-2-amino-3-(1H-indol-3-yl)propyl]oxy}pyridin-3-yl)-3-(furan-2-ylmethylidene)-1,3-dihydro-2H-indol-2-one
CID 11751896
(3E)-5-(5-{[(2S)-2-amino-3-(1H-indol-3-yl)propyl]oxy}pyridin-3-yl)-3-(furan-2-ylmethylidene)-1,3-dihydro-2H-indol-2-one
CID 25023776
3-(1-(2-(5-fluorobenzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 11164277
3-(1-(2-(6-chlorobenzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 11164783
5-fluoro-3-(1-(2-(5-methoxybenzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 11176778
5-fluoro-3-(1-(2-(5-fluorobenzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 11188108
3-(1-(2-(benzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-5-fluoro-1H-indole
CID 11245340
3-(1-(2-(benzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile
CID 11257134
3-(1-(2-(benzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-7-ethyl-1H-indole
CID 11268718
3-(1-(2-(5-chlorobenzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 11360898
3-(1-(2-(5-methoxybenzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 11406135
3-(1-(2-(benzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
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Frequently Asked Questions

What is the IUPAC name of 9H-carbazole;4H-cyclopenta[b]furan;dibenzofuran;1,4-dihydrocyclopenta[b]pyrrole?
The IUPAC name of 9H-carbazole;4H-cyclopenta[b]furan;dibenzofuran;1,4-dihydrocyclopenta[b]pyrrole (CID 159045121) is 9H-carbazole;4H-cyclopenta[b]furan;dibenzofuran;1,4-dihydrocyclopenta[b]pyrrole.
What is the SMILES notation for 9H-carbazole;4H-cyclopenta[b]furan;dibenzofuran;1,4-dihydrocyclopenta[b]pyrrole?
The canonical SMILES for 9H-carbazole;4H-cyclopenta[b]furan;dibenzofuran;1,4-dihydrocyclopenta[b]pyrrole is C1=Cc2[nH]ccc2C1.C1=Cc2occc2C1.c1ccc2c(c1)[nH]c1ccccc12.c1ccc2c(c1)oc1ccccc12.
What is the InChIKey of 9H-carbazole;4H-cyclopenta[b]furan;dibenzofuran;1,4-dihydrocyclopenta[b]pyrrole?
The InChIKey is JWOBXMLQDMFERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N.C12H8O.C7H7N.C7H6O/c2*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;2*1-2-6-4-5-8-7(6)3-1/h1-8,13H;1-8H;1,3-5,8H,2H2;1,3-5H,2H2.
What are the key properties of 9H-carbazole;4H-cyclopenta[b]furan;dibenzofuran;1,4-dihydrocyclopenta[b]pyrrole?
9H-carbazole;4H-cyclopenta[b]furan;dibenzofuran;1,4-dihydrocyclopenta[b]pyrrole has a molecular weight of 546.67 g/mol, XLogP of 10.34, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-carbazole;4H-cyclopenta[b]furan;dibenzofuran;1,4-dihydrocyclopenta[b]pyrrole is sourced from PubChem (CID 159045121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).