11-[3-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,1-b][1]benzofuran

C47H30O2 — CID 177299035

IUPAC11-[3-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,1-b][1]benzofuran
SMILESc1ccc(C2(c3ccccc3)c3ccccc3Oc3cc(-c4cccc(-c5cccc6oc7ccc8ccccc8c7c56)c4)ccc32)cc1
InChIInChI=1S/C47H30O2/c1-3-16-35(17-4-1)47(36-18-5-2-6-19-36)39-22-9-10-23-41(39)48-44-30-33(25-27-40(44)47)32-14-11-15-34(29-32)38-21-12-24-42-46(38)45-37-20-8-7-13-31(37)26-28-43(45)49-42/h1-30H
InChIKeyNGGZYVAIRVBQDH-UHFFFAOYSA-N
MW626.76 g/mol
LogP12.56
Rot. Bonds4

About 11-[3-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,1-b][1]benzofuran

11-[3-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,1-b][1]benzofuran (PubChem CID 177299035) has the molecular formula C47H30O2 and a molecular weight of 626.76 g/mol. Its IUPAC name is 11-[3-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,1-b][1]benzofuran.

Molecular Properties

Compound Name11-[3-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,1-b][1]benzofuran
PubChem CID177299035
Molecular FormulaC47H30O2
Molecular Weight626.76 g/mol
Exact Mass626.22
IUPAC Name11-[3-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,1-b][1]benzofuran
SMILESc1ccc(C2(c3ccccc3)c3ccccc3Oc3cc(-c4cccc(-c5cccc6oc7ccc8ccccc8c7c56)c4)ccc32)cc1
InChIInChI=1S/C47H30O2/c1-3-16-35(17-4-1)47(36-18-5-2-6-19-36)39-22-9-10-23-41(39)48-44-30-33(25-27-40(44)47)32-14-11-15-34(29-32)38-21-12-24-42-46(38)45-37-20-8-7-13-31(37)26-28-43(45)49-42/h1-30H
InChIKeyNGGZYVAIRVBQDH-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

Analyze 11-[3-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,1-b][1]benzofuran with MolForge

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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
1-[2-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 177297871
3-(2-phenanthren-1-ylphenyl)-9,9-diphenylxanthene
CID 177298046
3-phenanthren-2-yl-9,9-diphenylxanthene
CID 177299046
3-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-diphenylxanthene
CID 177298087
3-(11,11-diphenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene
CID 177126971
3'-[3-(8-phenylnaphthalen-1-yl)phenyl]spiro[fluorene-9,9'-xanthene]
CID 177299104
3-(7-dibenzofuran-2-yldibenzofuran-3-yl)-9,9-diphenylxanthene
CID 177299078
2-(9,9-diphenylxanthen-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 146388734
11-[3-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran
CID 155205149
2,4-diphenyl-6-[3-(3-spiro[benzo[a]fluorene-11,9'-xanthene]-3'-ylphenyl)phenyl]-1,3,5-triazine
CID 166825712

Frequently Asked Questions

What is the IUPAC name of 11-[3-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,1-b][1]benzofuran?
The IUPAC name of 11-[3-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,1-b][1]benzofuran (CID 177299035) is 11-[3-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,1-b][1]benzofuran.
What is the SMILES notation for 11-[3-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,1-b][1]benzofuran?
The canonical SMILES for 11-[3-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,1-b][1]benzofuran is c1ccc(C2(c3ccccc3)c3ccccc3Oc3cc(-c4cccc(-c5cccc6oc7ccc8ccccc8c7c56)c4)ccc32)cc1.
What is the InChIKey of 11-[3-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,1-b][1]benzofuran?
The InChIKey is NGGZYVAIRVBQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30O2/c1-3-16-35(17-4-1)47(36-18-5-2-6-19-36)39-22-9-10-23-41(39)48-44-30-33(25-27-40(44)47)32-14-11-15-34(29-32)38-21-12-24-42-46(38)45-37-20-8-7-13-31(37)26-28-43(45)49-42/h1-30H.
What are the key properties of 11-[3-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,1-b][1]benzofuran?
11-[3-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,1-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 11-[3-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,1-b][1]benzofuran is sourced from PubChem (CID 177299035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).