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

C47H30O2 — CID 177299030

IUPAC1-[3-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,3-b][1]benzofuran
SMILESc1ccc(C2(c3ccccc3)c3ccccc3Oc3cc(-c4cccc(-c5cccc6oc7cc8ccccc8cc7c56)c4)ccc32)cc1
InChIInChI=1S/C47H30O2/c1-3-17-36(18-4-1)47(37-19-5-2-6-20-37)40-22-9-10-23-42(40)48-45-30-34(25-26-41(45)47)31-15-11-16-35(27-31)38-21-12-24-43-46(38)39-28-32-13-7-8-14-33(32)29-44(39)49-43/h1-30H
InChIKeyNODHGSBSTORFFT-UHFFFAOYSA-N
MW626.76 g/mol
LogP12.56
Rot. Bonds4

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

1-[3-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,3-b][1]benzofuran (PubChem CID 177299030) has the molecular formula C47H30O2 and a molecular weight of 626.76 g/mol. Its IUPAC name is 1-[3-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,3-b][1]benzofuran.

Molecular Properties

Compound Name1-[3-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,3-b][1]benzofuran
PubChem CID177299030
Molecular FormulaC47H30O2
Molecular Weight626.76 g/mol
Exact Mass626.22
IUPAC Name1-[3-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,3-b][1]benzofuran
SMILESc1ccc(C2(c3ccccc3)c3ccccc3Oc3cc(-c4cccc(-c5cccc6oc7cc8ccccc8cc7c56)c4)ccc32)cc1
InChIInChI=1S/C47H30O2/c1-3-17-36(18-4-1)47(37-19-5-2-6-20-37)40-22-9-10-23-42(40)48-45-30-34(25-26-41(45)47)31-15-11-16-35(27-31)38-21-12-24-43-46(38)39-28-32-13-7-8-14-33(32)29-44(39)49-43/h1-30H
InChIKeyNODHGSBSTORFFT-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-[2-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 177297871
11-[3-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,1-b][1]benzofuran
CID 177299035
3-(7-dibenzofuran-1-yldibenzofuran-3-yl)-9,9-diphenylxanthene
CID 177298639
3'-[3-(8-phenylnaphthalen-1-yl)phenyl]spiro[fluorene-9,9'-xanthene]
CID 177299104
3-(2-phenanthren-1-ylphenyl)-9,9-diphenylxanthene
CID 177298046
3-(7-dibenzofuran-2-yldibenzofuran-3-yl)-9,9-diphenylxanthene
CID 177299078
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
2-(9,9-diphenylxanthen-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 146388734
3-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-diphenylxanthene
CID 177298087
3'-[2-(2-dibenzofuran-1-ylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]
CID 177297747
2-dibenzofuran-3-yl-4-[9-(9,9-dimethylxanthen-3-yl)dibenzofuran-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 165382217
2-[3-[3-(3-naphtho[2,3-b][1]benzofuran-1-ylphenyl)phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 134299618

Frequently Asked Questions

What is the IUPAC name of 1-[3-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,3-b][1]benzofuran?
The IUPAC name of 1-[3-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,3-b][1]benzofuran (CID 177299030) is 1-[3-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,3-b][1]benzofuran.
What is the SMILES notation for 1-[3-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,3-b][1]benzofuran?
The canonical SMILES for 1-[3-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,3-b][1]benzofuran is c1ccc(C2(c3ccccc3)c3ccccc3Oc3cc(-c4cccc(-c5cccc6oc7cc8ccccc8cc7c56)c4)ccc32)cc1.
What is the InChIKey of 1-[3-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,3-b][1]benzofuran?
The InChIKey is NODHGSBSTORFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30O2/c1-3-17-36(18-4-1)47(37-19-5-2-6-20-37)40-22-9-10-23-42(40)48-45-30-34(25-26-41(45)47)31-15-11-16-35(27-31)38-21-12-24-43-46(38)39-28-32-13-7-8-14-33(32)29-44(39)49-43/h1-30H.
What are the key properties of 1-[3-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,3-b][1]benzofuran?
1-[3-(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-[3-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 177299030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).