8-[9-[4-(benzenesulfonyl)phenyl]fluoren-9-yl]-[1]benzofuro[3,2-b]pyridine

C36H23NO3S — CID 155273655

IUPAC8-[9-[4-(benzenesulfonyl)phenyl]fluoren-9-yl]-[1]benzofuro[3,2-b]pyridine
SMILESO=S(=O)(c1ccccc1)c1ccc(C2(c3ccc4oc5cccnc5c4c3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C36H23NO3S/c38-41(39,26-9-2-1-3-10-26)27-19-16-24(17-20-27)36(31-13-6-4-11-28(31)29-12-5-7-14-32(29)36)25-18-21-33-30(23-25)35-34(40-33)15-8-22-37-35/h1-23H
InChIKeyXUABWNKOAXZOQZ-UHFFFAOYSA-N
MW549.65 g/mol
LogP8.18
Rot. Bonds4

About 8-[9-[4-(benzenesulfonyl)phenyl]fluoren-9-yl]-[1]benzofuro[3,2-b]pyridine

8-[9-[4-(benzenesulfonyl)phenyl]fluoren-9-yl]-[1]benzofuro[3,2-b]pyridine (PubChem CID 155273655) has the molecular formula C36H23NO3S and a molecular weight of 549.65 g/mol. Its IUPAC name is 8-[9-[4-(benzenesulfonyl)phenyl]fluoren-9-yl]-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name8-[9-[4-(benzenesulfonyl)phenyl]fluoren-9-yl]-[1]benzofuro[3,2-b]pyridine
PubChem CID155273655
Molecular FormulaC36H23NO3S
Molecular Weight549.65 g/mol
Exact Mass549.14
IUPAC Name8-[9-[4-(benzenesulfonyl)phenyl]fluoren-9-yl]-[1]benzofuro[3,2-b]pyridine
SMILESO=S(=O)(c1ccccc1)c1ccc(C2(c3ccc4oc5cccnc5c4c3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C36H23NO3S/c38-41(39,26-9-2-1-3-10-26)27-19-16-24(17-20-27)36(31-13-6-4-11-28(31)29-12-5-7-14-32(29)36)25-18-21-33-30(23-25)35-34(40-33)15-8-22-37-35/h1-23H
InChIKeyXUABWNKOAXZOQZ-UHFFFAOYSA-N
XLogP8.18
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.65
LogP ≤ 58.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-([1]benzofuro[3,2-b]pyridin-8-yl)-9-phenyl-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 122593311
9,9-bis[4-(benzenesulfonyl)phenyl]fluorene
CID 122401705
3'-(benzenesulfonyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]
CID 122627138
2-[4-[4-(9-dibenzofuran-2-ylfluoren-9-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146581949
2-(2-chloro-9-phenylfluoren-9-yl)dibenzofuran
CID 142745507
9,9-bis(4-methylphenyl)fluorene;methane;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 162192450
2-[3-[4-[4-(9-dibenzofuran-2-ylfluoren-9-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-[4-(9-dibenzofuran-2-ylfluoren-9-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 160588637
2-dibenzofuran-1-yl-4-[4-(9-dibenzofuran-2-ylfluoren-9-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 146581682
2,4-diphenyl-6-[5-[8-(9-phenylfluoren-9-yl)dibenzofuran-1-yl]naphthalen-1-yl]-1,3,5-triazine
CID 162487343
N-(9-dibenzofuran-2-yl-9-phenylfluoren-2-yl)-N,9,9-triphenylfluoren-2-amine
CID 134452942
N-phenyl-N-(4-phenylphenyl)-8-[9-(4-phenylphenyl)fluoren-9-yl]dibenzofuran-1-amine
CID 163681080
CID 90291971
CID 90291971

Frequently Asked Questions

What is the IUPAC name of 8-[9-[4-(benzenesulfonyl)phenyl]fluoren-9-yl]-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 8-[9-[4-(benzenesulfonyl)phenyl]fluoren-9-yl]-[1]benzofuro[3,2-b]pyridine (CID 155273655) is 8-[9-[4-(benzenesulfonyl)phenyl]fluoren-9-yl]-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 8-[9-[4-(benzenesulfonyl)phenyl]fluoren-9-yl]-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 8-[9-[4-(benzenesulfonyl)phenyl]fluoren-9-yl]-[1]benzofuro[3,2-b]pyridine is O=S(=O)(c1ccccc1)c1ccc(C2(c3ccc4oc5cccnc5c4c3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 8-[9-[4-(benzenesulfonyl)phenyl]fluoren-9-yl]-[1]benzofuro[3,2-b]pyridine?
The InChIKey is XUABWNKOAXZOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23NO3S/c38-41(39,26-9-2-1-3-10-26)27-19-16-24(17-20-27)36(31-13-6-4-11-28(31)29-12-5-7-14-32(29)36)25-18-21-33-30(23-25)35-34(40-33)15-8-22-37-35/h1-23H.
What are the key properties of 8-[9-[4-(benzenesulfonyl)phenyl]fluoren-9-yl]-[1]benzofuro[3,2-b]pyridine?
8-[9-[4-(benzenesulfonyl)phenyl]fluoren-9-yl]-[1]benzofuro[3,2-b]pyridine has a molecular weight of 549.65 g/mol, XLogP of 8.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[9-[4-(benzenesulfonyl)phenyl]fluoren-9-yl]-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 155273655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).