3,10-bis(4-methoxy-2-propoxyphenyl)-3,10-diphenylchromeno[5,6-f]chromene

C48H44O6 — CID 178181950

IUPAC3,10-bis(4-methoxy-2-propoxyphenyl)-3,10-diphenylchromeno[5,6-f]chromene
SMILESCCCOc1cc(OC)ccc1C1(c2ccccc2)C=Cc2c(ccc3ccc4c(c23)C=CC(c2ccccc2)(c2ccc(OC)cc2OCCC)O4)O1
InChIInChI=1S/C48H44O6/c1-5-29-51-44-31-36(49-3)19-21-40(44)47(34-13-9-7-10-14-34)27-25-38-42(53-47)23-17-33-18-24-43-39(46(33)38)26-28-48(54-43,35-15-11-8-12-16-35)41-22-20-37(50-4)32-45(41)52-30-6-2/h7-28,31-32H,5-6,29-30H2,1-4H3
InChIKeyLGNPLVKQZFGYPT-UHFFFAOYSA-N
MW716.87 g/mol
LogP11.13
Rot. Bonds12

About 3,10-bis(4-methoxy-2-propoxyphenyl)-3,10-diphenylchromeno[5,6-f]chromene

3,10-bis(4-methoxy-2-propoxyphenyl)-3,10-diphenylchromeno[5,6-f]chromene (PubChem CID 178181950) has the molecular formula C48H44O6 and a molecular weight of 716.87 g/mol. Its IUPAC name is 3,10-bis(4-methoxy-2-propoxyphenyl)-3,10-diphenylchromeno[5,6-f]chromene.

Molecular Properties

Compound Name3,10-bis(4-methoxy-2-propoxyphenyl)-3,10-diphenylchromeno[5,6-f]chromene
PubChem CID178181950
Molecular FormulaC48H44O6
Molecular Weight716.87 g/mol
Exact Mass716.31
IUPAC Name3,10-bis(4-methoxy-2-propoxyphenyl)-3,10-diphenylchromeno[5,6-f]chromene
SMILESCCCOc1cc(OC)ccc1C1(c2ccccc2)C=Cc2c(ccc3ccc4c(c23)C=CC(c2ccccc2)(c2ccc(OC)cc2OCCC)O4)O1
InChIInChI=1S/C48H44O6/c1-5-29-51-44-31-36(49-3)19-21-40(44)47(34-13-9-7-10-14-34)27-25-38-42(53-47)23-17-33-18-24-43-39(46(33)38)26-28-48(54-43,35-15-11-8-12-16-35)41-22-20-37(50-4)32-45(41)52-30-6-2/h7-28,31-32H,5-6,29-30H2,1-4H3
InChIKeyLGNPLVKQZFGYPT-UHFFFAOYSA-N
XLogP11.13
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.87
LogP ≤ 511.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3,10-bis(4-butoxy-2-methoxyphenyl)-3,10-diphenylchromeno[5,6-f]chromene
CID 178181948
3-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)benzo[f]chromene
CID 18916131
4-(8-methoxy-3-phenylbenzo[f]chromen-3-yl)-N,N-dimethylaniline
CID 23363453
8-methoxy-3-naphthalen-2-yl-3-phenylbenzo[f]chromene
CID 139692008
8-methoxy-3-phenyl-3-(4-phenylphenyl)benzo[f]chromene
CID 15331134
8-methoxy-3,3-bis(4-phenylphenyl)benzo[f]chromene
CID 15333406
3-(2-fluorophenyl)-3-(4-methoxyphenyl)benzo[f]chromene
CID 3104875
(3S)-3-(3,4-dimethoxyphenyl)-3-phenylbenzo[f]chromene
CID 102063385
7'-methoxy-3'-methyl-2'-phenylspiro[benzo[f]chromene-3,4'-chromene]
CID 19084318
methyl 2-[2-ethoxy-4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-9-methoxy-6-methyl-2-phenylbenzo[h]chromene-5-carboxylate
CID 156852937
3-(2-fluorophenyl)-3-(4-methoxyphenyl)-[1]benzofuro[3,2-f]chromene
CID 3124844
5-(4-butoxyphenyl)-10-methoxy-5-(4-methoxyphenyl)-21,21-dimethyl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15,17,19-nonaene
CID 90343313

Frequently Asked Questions

What is the IUPAC name of 3,10-bis(4-methoxy-2-propoxyphenyl)-3,10-diphenylchromeno[5,6-f]chromene?
The IUPAC name of 3,10-bis(4-methoxy-2-propoxyphenyl)-3,10-diphenylchromeno[5,6-f]chromene (CID 178181950) is 3,10-bis(4-methoxy-2-propoxyphenyl)-3,10-diphenylchromeno[5,6-f]chromene.
What is the SMILES notation for 3,10-bis(4-methoxy-2-propoxyphenyl)-3,10-diphenylchromeno[5,6-f]chromene?
The canonical SMILES for 3,10-bis(4-methoxy-2-propoxyphenyl)-3,10-diphenylchromeno[5,6-f]chromene is CCCOc1cc(OC)ccc1C1(c2ccccc2)C=Cc2c(ccc3ccc4c(c23)C=CC(c2ccccc2)(c2ccc(OC)cc2OCCC)O4)O1.
What is the InChIKey of 3,10-bis(4-methoxy-2-propoxyphenyl)-3,10-diphenylchromeno[5,6-f]chromene?
The InChIKey is LGNPLVKQZFGYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H44O6/c1-5-29-51-44-31-36(49-3)19-21-40(44)47(34-13-9-7-10-14-34)27-25-38-42(53-47)23-17-33-18-24-43-39(46(33)38)26-28-48(54-43,35-15-11-8-12-16-35)41-22-20-37(50-4)32-45(41)52-30-6-2/h7-28,31-32H,5-6,29-30H2,1-4H3.
What are the key properties of 3,10-bis(4-methoxy-2-propoxyphenyl)-3,10-diphenylchromeno[5,6-f]chromene?
3,10-bis(4-methoxy-2-propoxyphenyl)-3,10-diphenylchromeno[5,6-f]chromene has a molecular weight of 716.87 g/mol, XLogP of 11.13, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10-bis(4-methoxy-2-propoxyphenyl)-3,10-diphenylchromeno[5,6-f]chromene is sourced from PubChem (CID 178181950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).