9-[2-[3-[2-(6-oxobenzo[c]chromen-9-yl)phenyl]-5-[2-(6-oxo-3,4-dihydrobenzo[c]chromen-9-yl)phenyl]phenyl]phenyl]benzo[c]chromen-6-one

C63H38O6 — CID 145132426

IUPAC9-[2-[3-[2-(6-oxobenzo[c]chromen-9-yl)phenyl]-5-[2-(6-oxo-3,4-dihydrobenzo[c]chromen-9-yl)phenyl]phenyl]phenyl]benzo[c]chromen-6-one
SMILESO=c1oc2c(c3cc(-c4ccccc4-c4cc(-c5ccccc5-c5ccc6c(=O)oc7ccccc7c6c5)cc(-c5ccccc5-c5ccc6c(=O)oc7ccccc7c6c5)c4)ccc13)C=CCC2
InChIInChI=1S/C63H38O6/c64-61-52-28-25-37(34-55(52)49-19-7-10-22-58(49)67-61)43-13-1-4-16-46(43)40-31-41(47-17-5-2-14-44(47)38-26-29-53-56(35-38)50-20-8-11-23-59(50)68-62(53)65)33-42(32-40)48-18-6-3-15-45(48)39-27-30-54-57(36-39)51-21-9-12-24-60(51)69-63(54)66/h1-11,13-23,25-36H,12,24H2
InChIKeyPLJPZFCANAFBDQ-UHFFFAOYSA-N
MW890.99 g/mol
LogP15.27
Rot. Bonds6

About 9-[2-[3-[2-(6-oxobenzo[c]chromen-9-yl)phenyl]-5-[2-(6-oxo-3,4-dihydrobenzo[c]chromen-9-yl)phenyl]phenyl]phenyl]benzo[c]chromen-6-one

9-[2-[3-[2-(6-oxobenzo[c]chromen-9-yl)phenyl]-5-[2-(6-oxo-3,4-dihydrobenzo[c]chromen-9-yl)phenyl]phenyl]phenyl]benzo[c]chromen-6-one (PubChem CID 145132426) has the molecular formula C63H38O6 and a molecular weight of 890.99 g/mol. Its IUPAC name is 9-[2-[3-[2-(6-oxobenzo[c]chromen-9-yl)phenyl]-5-[2-(6-oxo-3,4-dihydrobenzo[c]chromen-9-yl)phenyl]phenyl]phenyl]benzo[c]chromen-6-one.

Molecular Properties

Compound Name9-[2-[3-[2-(6-oxobenzo[c]chromen-9-yl)phenyl]-5-[2-(6-oxo-3,4-dihydrobenzo[c]chromen-9-yl)phenyl]phenyl]phenyl]benzo[c]chromen-6-one
PubChem CID145132426
Molecular FormulaC63H38O6
Molecular Weight890.99 g/mol
Exact Mass890.27
IUPAC Name9-[2-[3-[2-(6-oxobenzo[c]chromen-9-yl)phenyl]-5-[2-(6-oxo-3,4-dihydrobenzo[c]chromen-9-yl)phenyl]phenyl]phenyl]benzo[c]chromen-6-one
SMILESO=c1oc2c(c3cc(-c4ccccc4-c4cc(-c5ccccc5-c5ccc6c(=O)oc7ccccc7c6c5)cc(-c5ccccc5-c5ccc6c(=O)oc7ccccc7c6c5)c4)ccc13)C=CCC2
InChIInChI=1S/C63H38O6/c64-61-52-28-25-37(34-55(52)49-19-7-10-22-58(49)67-61)43-13-1-4-16-46(43)40-31-41(47-17-5-2-14-44(47)38-26-29-53-56(35-38)50-20-8-11-23-59(50)68-62(53)65)33-42(32-40)48-18-6-3-15-45(48)39-27-30-54-57(36-39)51-21-9-12-24-60(51)69-63(54)66/h1-11,13-23,25-36H,12,24H2
InChIKeyPLJPZFCANAFBDQ-UHFFFAOYSA-N
XLogP15.27
TPSA90.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500890.99
LogP ≤ 515.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 9-[2-[3-[2-(6-oxobenzo[c]chromen-9-yl)phenyl]-5-[2-(6-oxo-3,4-dihydrobenzo[c]chromen-9-yl)phenyl]phenyl]phenyl]benzo[c]chromen-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[6-(9-oxo-5,6-dihydroxanthen-2-yl)dibenzothiophen-4-yl]xanthen-9-one
CID 123670275
3-dibenzofuran-4-yl-6-(6,7-dihydrodibenzofuran-4-yl)-9-(3-triphenylen-2-ylphenyl)carbazole
CID 88573967
12-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15(20),18-octaene
CID 149414760
2-(6,7-dihydrodibenzofuran-1-yl)-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-3-yl)-1,3,5-triazine
CID 146407661
2-(4-dibenzofuran-4-ylphenyl)benzo[c]chromen-6-one
CID 121242458
2-dibenzofuran-3-yl-8-(6,7-dihydrodibenzofuran-3-yl)-5λ4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaene
CID 174256393
7-[10-(2-phenylphenyl)-3,4-dihydroanthracen-9-yl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 144583429
5-[4-(6-naphthalen-1-ylpyren-1-yl)phenyl]-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16(21),17,24-undecaene
CID 155009107
5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-9,10-dihydronaphtho[1,2-b][1]benzofuran
CID 163943962
2-[8-(5,6-dihydrotriphenylen-2-yl)dibenzofuran-3-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 167200523
7-[3-(6-oxobenzo[c]chromen-7-yl)-5-phenylphenyl]benzo[c]chromen-6-one
CID 121242464
1-[10-(6,7-dihydrodibenzofuran-4-yl)anthracen-9-yl]dibenzofuran
CID 135208618

Frequently Asked Questions

What is the IUPAC name of 9-[2-[3-[2-(6-oxobenzo[c]chromen-9-yl)phenyl]-5-[2-(6-oxo-3,4-dihydrobenzo[c]chromen-9-yl)phenyl]phenyl]phenyl]benzo[c]chromen-6-one?
The IUPAC name of 9-[2-[3-[2-(6-oxobenzo[c]chromen-9-yl)phenyl]-5-[2-(6-oxo-3,4-dihydrobenzo[c]chromen-9-yl)phenyl]phenyl]phenyl]benzo[c]chromen-6-one (CID 145132426) is 9-[2-[3-[2-(6-oxobenzo[c]chromen-9-yl)phenyl]-5-[2-(6-oxo-3,4-dihydrobenzo[c]chromen-9-yl)phenyl]phenyl]phenyl]benzo[c]chromen-6-one.
What is the SMILES notation for 9-[2-[3-[2-(6-oxobenzo[c]chromen-9-yl)phenyl]-5-[2-(6-oxo-3,4-dihydrobenzo[c]chromen-9-yl)phenyl]phenyl]phenyl]benzo[c]chromen-6-one?
The canonical SMILES for 9-[2-[3-[2-(6-oxobenzo[c]chromen-9-yl)phenyl]-5-[2-(6-oxo-3,4-dihydrobenzo[c]chromen-9-yl)phenyl]phenyl]phenyl]benzo[c]chromen-6-one is O=c1oc2c(c3cc(-c4ccccc4-c4cc(-c5ccccc5-c5ccc6c(=O)oc7ccccc7c6c5)cc(-c5ccccc5-c5ccc6c(=O)oc7ccccc7c6c5)c4)ccc13)C=CCC2.
What is the InChIKey of 9-[2-[3-[2-(6-oxobenzo[c]chromen-9-yl)phenyl]-5-[2-(6-oxo-3,4-dihydrobenzo[c]chromen-9-yl)phenyl]phenyl]phenyl]benzo[c]chromen-6-one?
The InChIKey is PLJPZFCANAFBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H38O6/c64-61-52-28-25-37(34-55(52)49-19-7-10-22-58(49)67-61)43-13-1-4-16-46(43)40-31-41(47-17-5-2-14-44(47)38-26-29-53-56(35-38)50-20-8-11-23-59(50)68-62(53)65)33-42(32-40)48-18-6-3-15-45(48)39-27-30-54-57(36-39)51-21-9-12-24-60(51)69-63(54)66/h1-11,13-23,25-36H,12,24H2.
What are the key properties of 9-[2-[3-[2-(6-oxobenzo[c]chromen-9-yl)phenyl]-5-[2-(6-oxo-3,4-dihydrobenzo[c]chromen-9-yl)phenyl]phenyl]phenyl]benzo[c]chromen-6-one?
9-[2-[3-[2-(6-oxobenzo[c]chromen-9-yl)phenyl]-5-[2-(6-oxo-3,4-dihydrobenzo[c]chromen-9-yl)phenyl]phenyl]phenyl]benzo[c]chromen-6-one has a molecular weight of 890.99 g/mol, XLogP of 15.27, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[3-[2-(6-oxobenzo[c]chromen-9-yl)phenyl]-5-[2-(6-oxo-3,4-dihydrobenzo[c]chromen-9-yl)phenyl]phenyl]phenyl]benzo[c]chromen-6-one is sourced from PubChem (CID 145132426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).