1-[2-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,3-b][1]benzofuran

C47H30O2 — CID 177297871

IUPAC1-[2-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,3-b][1]benzofuran
SMILESc1ccc(C2(c3ccccc3)c3ccccc3Oc3cc(-c4ccccc4-c4cccc5oc6cc7ccccc7cc6c45)ccc32)cc1
InChIInChI=1S/C47H30O2/c1-3-16-34(17-4-1)47(35-18-5-2-6-19-35)40-23-11-12-24-42(40)48-45-30-33(26-27-41(45)47)36-20-9-10-21-37(36)38-22-13-25-43-46(38)39-28-31-14-7-8-15-32(31)29-44(39)49-43/h1-30H
InChIKeyIGJLGXWSPPHJKR-UHFFFAOYSA-N
MW626.76 g/mol
LogP12.56
Rot. Bonds4

About 1-[2-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,3-b][1]benzofuran

1-[2-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,3-b][1]benzofuran (PubChem CID 177297871) has the molecular formula C47H30O2 and a molecular weight of 626.76 g/mol. Its IUPAC name is 1-[2-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,3-b][1]benzofuran.

Molecular Properties

Compound Name1-[2-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,3-b][1]benzofuran
PubChem CID177297871
Molecular FormulaC47H30O2
Molecular Weight626.76 g/mol
Exact Mass626.22
IUPAC Name1-[2-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,3-b][1]benzofuran
SMILESc1ccc(C2(c3ccccc3)c3ccccc3Oc3cc(-c4ccccc4-c4cccc5oc6cc7ccccc7cc6c45)ccc32)cc1
InChIInChI=1S/C47H30O2/c1-3-16-34(17-4-1)47(35-18-5-2-6-19-35)40-23-11-12-24-42(40)48-45-30-33(26-27-41(45)47)36-20-9-10-21-37(36)38-22-13-25-43-46(38)39-28-31-14-7-8-15-32(31)29-44(39)49-43/h1-30H
InChIKeyIGJLGXWSPPHJKR-UHFFFAOYSA-N
XLogP12.56
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.76
LogP ≤ 512.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 177299030
3-(7-dibenzofuran-1-yldibenzofuran-3-yl)-9,9-diphenylxanthene
CID 177298639
11-[3-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,1-b][1]benzofuran
CID 177299035
3'-[2-(2-dibenzofuran-1-ylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]
CID 177297747
3-(2-phenanthren-1-ylphenyl)-9,9-diphenylxanthene
CID 177298046
12-(9,9-diphenylfluoren-4-yl)-4-naphtho[2,3-b][1]benzofuran-1-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene
CID 170035516
3-(7-dibenzofuran-2-yldibenzofuran-3-yl)-9,9-diphenylxanthene
CID 177299078
3-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-diphenylxanthene
CID 177298087
2-phenyl-4-(4-phenylphenyl)-6-(2-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-ylphenyl)-1,3,5-triazine
CID 156560244
3'-[2-(2-dibenzofuran-4-ylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]
CID 177297795
3-phenanthren-2-yl-9,9-diphenylxanthene
CID 177299046
3-(7-chlorodibenzofuran-1-yl)-9,9-dimethylxanthene
CID 165382152

Frequently Asked Questions

What is the IUPAC name of 1-[2-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,3-b][1]benzofuran?
The IUPAC name of 1-[2-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,3-b][1]benzofuran (CID 177297871) is 1-[2-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,3-b][1]benzofuran.
What is the SMILES notation for 1-[2-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,3-b][1]benzofuran?
The canonical SMILES for 1-[2-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,3-b][1]benzofuran is c1ccc(C2(c3ccccc3)c3ccccc3Oc3cc(-c4ccccc4-c4cccc5oc6cc7ccccc7cc6c45)ccc32)cc1.
What is the InChIKey of 1-[2-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,3-b][1]benzofuran?
The InChIKey is IGJLGXWSPPHJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30O2/c1-3-16-34(17-4-1)47(35-18-5-2-6-19-35)40-23-11-12-24-42(40)48-45-30-33(26-27-41(45)47)36-20-9-10-21-37(36)38-22-13-25-43-46(38)39-28-31-14-7-8-15-32(31)29-44(39)49-43/h1-30H.
What are the key properties of 1-[2-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,3-b][1]benzofuran?
1-[2-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,3-b][1]benzofuran has a molecular weight of 626.76 g/mol, XLogP of 12.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 177297871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).