2,10-bis(3,5-diphenylphenyl)chromeno[2,3-a]xanthene-8,14-dione

C56H34O4 — CID 170440758

IUPAC2,10-bis(3,5-diphenylphenyl)chromeno[2,3-a]xanthene-8,14-dione

SMILESO=c1c2cc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)ccc2oc2c1ccc1oc3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3c(=O)c12

InChIInChI=1S/C56H34O4/c57-54-47-23-26-52-53(55(58)49-34-40(21-24-50(49)59-52)46-31-43(37-17-9-3-10-18-37)28-44(32-46)38-19-11-4-12-20-38)56(47)60-51-25-22-39(33-48(51)54)45-29-41(35-13-5-1-6-14-35)27-42(30-45)36-15-7-2-8-16-36/h1-34H

InChIKeyFUVJQGOZZZVCIQ-UHFFFAOYSA-N

MW770.88 g/mol

LogP14.21

Rot. Bonds6

About 2,10-bis(3,5-diphenylphenyl)chromeno[2,3-a]xanthene-8,14-dione

2,10-bis(3,5-diphenylphenyl)chromeno[2,3-a]xanthene-8,14-dione (PubChem CID 170440758) has the molecular formula C56H34O4 and a molecular weight of 770.88 g/mol. Its IUPAC name is 2,10-bis(3,5-diphenylphenyl)chromeno[2,3-a]xanthene-8,14-dione.

Molecular Properties

Compound Name	2,10-bis(3,5-diphenylphenyl)chromeno[2,3-a]xanthene-8,14-dione
PubChem CID	170440758
Molecular Formula	C56H34O4
Molecular Weight	770.88 g/mol
Exact Mass	770.25
IUPAC Name	2,10-bis(3,5-diphenylphenyl)chromeno[2,3-a]xanthene-8,14-dione
SMILES	O=c1c2cc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)ccc2oc2c1ccc1oc3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3c(=O)c12
InChI	InChI=1S/C56H34O4/c57-54-47-23-26-52-53(55(58)49-34-40(21-24-50(49)59-52)46-31-43(37-17-9-3-10-18-37)28-44(32-46)38-19-11-4-12-20-38)56(47)60-51-25-22-39(33-48(51)54)45-29-41(35-13-5-1-6-14-35)27-42(30-45)36-15-7-2-8-16-36/h1-34H
InChIKey	FUVJQGOZZZVCIQ-UHFFFAOYSA-N
XLogP	14.21
TPSA	60.42 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	6
Heavy Atoms	60
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	770.88
LogP ≤ 5	14.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2,10-bis(3,5-diphenylphenyl)chromeno[2,3-a]xanthene-8,14-dione?

The IUPAC name of 2,10-bis(3,5-diphenylphenyl)chromeno[2,3-a]xanthene-8,14-dione (CID 170440758) is 2,10-bis(3,5-diphenylphenyl)chromeno[2,3-a]xanthene-8,14-dione.

What is the SMILES notation for 2,10-bis(3,5-diphenylphenyl)chromeno[2,3-a]xanthene-8,14-dione?

The canonical SMILES for 2,10-bis(3,5-diphenylphenyl)chromeno[2,3-a]xanthene-8,14-dione is O=c1c2cc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)ccc2oc2c1ccc1oc3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3c(=O)c12.

What is the InChIKey of 2,10-bis(3,5-diphenylphenyl)chromeno[2,3-a]xanthene-8,14-dione?

The InChIKey is FUVJQGOZZZVCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34O4/c57-54-47-23-26-52-53(55(58)49-34-40(21-24-50(49)59-52)46-31-43(37-17-9-3-10-18-37)28-44(32-46)38-19-11-4-12-20-38)56(47)60-51-25-22-39(33-48(51)54)45-29-41(35-13-5-1-6-14-35)27-42(30-45)36-15-7-2-8-16-36/h1-34H.

What are the key properties of 2,10-bis(3,5-diphenylphenyl)chromeno[2,3-a]xanthene-8,14-dione?

2,10-bis(3,5-diphenylphenyl)chromeno[2,3-a]xanthene-8,14-dione has a molecular weight of 770.88 g/mol, XLogP of 14.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,10-bis(3,5-diphenylphenyl)chromeno[2,3-a]xanthene-8,14-dione is sourced from PubChem (CID 170440758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).