2,10-di(perylen-3-yl)chromeno[2,3-a]xanthene-8,14-dione

C60H30O4 — CID 170440776

IUPAC2,10-di(perylen-3-yl)chromeno[2,3-a]xanthene-8,14-dione
SMILESO=c1c2cc(-c3ccc4c5cccc6cccc(c7cccc3c74)c65)ccc2oc2c1ccc1oc3ccc(-c4ccc5c6cccc7cccc(c8cccc4c85)c76)cc3c(=O)c12
InChIInChI=1S/C60H30O4/c61-58-47-25-28-52-57(59(62)49-30-34(19-26-50(49)63-52)36-22-24-46-42-14-4-10-32-8-2-12-40(54(32)42)44-18-6-16-38(36)56(44)46)60(47)64-51-27-20-33(29-48(51)58)35-21-23-45-41-13-3-9-31-7-1-11-39(53(31)41)43-17-5-15-37(35)55(43)45/h1-30H
InChIKeyMFTYMTKFCBCDEK-UHFFFAOYSA-N
MW814.90 g/mol
LogP15.64
Rot. Bonds2

About 2,10-di(perylen-3-yl)chromeno[2,3-a]xanthene-8,14-dione

2,10-di(perylen-3-yl)chromeno[2,3-a]xanthene-8,14-dione (PubChem CID 170440776) has the molecular formula C60H30O4 and a molecular weight of 814.90 g/mol. Its IUPAC name is 2,10-di(perylen-3-yl)chromeno[2,3-a]xanthene-8,14-dione.

Molecular Properties

Compound Name2,10-di(perylen-3-yl)chromeno[2,3-a]xanthene-8,14-dione
PubChem CID170440776
Molecular FormulaC60H30O4
Molecular Weight814.90 g/mol
Exact Mass814.21
IUPAC Name2,10-di(perylen-3-yl)chromeno[2,3-a]xanthene-8,14-dione
SMILESO=c1c2cc(-c3ccc4c5cccc6cccc(c7cccc3c74)c65)ccc2oc2c1ccc1oc3ccc(-c4ccc5c6cccc7cccc(c8cccc4c85)c76)cc3c(=O)c12
InChIInChI=1S/C60H30O4/c61-58-47-25-28-52-57(59(62)49-30-34(19-26-50(49)63-52)36-22-24-46-42-14-4-10-32-8-2-12-40(54(32)42)44-18-6-16-38(36)56(44)46)60(47)64-51-27-20-33(29-48(51)58)35-21-23-45-41-13-3-9-31-7-1-11-39(53(31)41)43-17-5-15-37(35)55(43)45/h1-30H
InChIKeyMFTYMTKFCBCDEK-UHFFFAOYSA-N
XLogP15.64
TPSA60.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.90
LogP ≤ 515.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2,10-di(pyren-2-yl)chromeno[2,3-a]xanthene-8,14-dione
CID 170440775
2,10-bis(4-phenylphenyl)chromeno[2,3-a]xanthene-8,14-dione
CID 170440757
2,10-bis(3,5-diphenylphenyl)chromeno[2,3-a]xanthene-8,14-dione
CID 170440758
2,10-bis(9,9-dimethylfluoren-4-yl)chromeno[2,3-a]xanthene-8,14-dione
CID 170440773
2-pyren-1-yl-8-(6-pyren-1-yldibenzofuran-2-yl)dibenzofuran
CID 58556407
2,11-di(dibenzothiophen-4-yl)chromeno[2,3-a]xanthene-8,14-dione
CID 170440820
8-pyren-1-ylnaphtho[1,2-b][1]benzofuran
CID 139341196
2-pyren-1-yl-6-(6-pyren-1-yldibenzofuran-2-yl)dibenzofuran
CID 58556403
20-(6-anthracen-9-ylpyren-1-yl)-16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaene
CID 155008989
2-[6-(9-oxoxanthen-3-yl)dibenzofuran-4-yl]xanthen-9-one
CID 69098478
2-(8-naphthalen-2-ylpyren-1-yl)-6-phenyldibenzofuran
CID 170150575
3,11-bis(3,5-diphenylphenyl)chromeno[2,3-a]xanthene-8,14-dione
CID 170440831

Frequently Asked Questions

What is the IUPAC name of 2,10-di(perylen-3-yl)chromeno[2,3-a]xanthene-8,14-dione?
The IUPAC name of 2,10-di(perylen-3-yl)chromeno[2,3-a]xanthene-8,14-dione (CID 170440776) is 2,10-di(perylen-3-yl)chromeno[2,3-a]xanthene-8,14-dione.
What is the SMILES notation for 2,10-di(perylen-3-yl)chromeno[2,3-a]xanthene-8,14-dione?
The canonical SMILES for 2,10-di(perylen-3-yl)chromeno[2,3-a]xanthene-8,14-dione is O=c1c2cc(-c3ccc4c5cccc6cccc(c7cccc3c74)c65)ccc2oc2c1ccc1oc3ccc(-c4ccc5c6cccc7cccc(c8cccc4c85)c76)cc3c(=O)c12.
What is the InChIKey of 2,10-di(perylen-3-yl)chromeno[2,3-a]xanthene-8,14-dione?
The InChIKey is MFTYMTKFCBCDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H30O4/c61-58-47-25-28-52-57(59(62)49-30-34(19-26-50(49)63-52)36-22-24-46-42-14-4-10-32-8-2-12-40(54(32)42)44-18-6-16-38(36)56(44)46)60(47)64-51-27-20-33(29-48(51)58)35-21-23-45-41-13-3-9-31-7-1-11-39(53(31)41)43-17-5-15-37(35)55(43)45/h1-30H.
What are the key properties of 2,10-di(perylen-3-yl)chromeno[2,3-a]xanthene-8,14-dione?
2,10-di(perylen-3-yl)chromeno[2,3-a]xanthene-8,14-dione has a molecular weight of 814.90 g/mol, XLogP of 15.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-di(perylen-3-yl)chromeno[2,3-a]xanthene-8,14-dione is sourced from PubChem (CID 170440776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).