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

C50H48O6 — CID 178181948

IUPAC3,10-bis(4-butoxy-2-methoxyphenyl)-3,10-diphenylchromeno[5,6-f]chromene
SMILESCCCCOc1ccc(C2(c3ccccc3)C=Cc3c(ccc4ccc5c(c34)C=CC(c3ccccc3)(c3ccc(OCCCC)cc3OC)O5)O2)c(OC)c1
InChIInChI=1S/C50H48O6/c1-5-7-31-53-38-21-23-42(46(33-38)51-3)49(36-15-11-9-12-16-36)29-27-40-44(55-49)25-19-35-20-26-45-41(48(35)40)28-30-50(56-45,37-17-13-10-14-18-37)43-24-22-39(34-47(43)52-4)54-32-8-6-2/h9-30,33-34H,5-8,31-32H2,1-4H3
InChIKeyDCLIKYQLZZVOPK-UHFFFAOYSA-N
MW744.93 g/mol
LogP11.91
Rot. Bonds14

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

3,10-bis(4-butoxy-2-methoxyphenyl)-3,10-diphenylchromeno[5,6-f]chromene (PubChem CID 178181948) has the molecular formula C50H48O6 and a molecular weight of 744.93 g/mol. Its IUPAC name is 3,10-bis(4-butoxy-2-methoxyphenyl)-3,10-diphenylchromeno[5,6-f]chromene.

Molecular Properties

Compound Name3,10-bis(4-butoxy-2-methoxyphenyl)-3,10-diphenylchromeno[5,6-f]chromene
PubChem CID178181948
Molecular FormulaC50H48O6
Molecular Weight744.93 g/mol
Exact Mass744.35
IUPAC Name3,10-bis(4-butoxy-2-methoxyphenyl)-3,10-diphenylchromeno[5,6-f]chromene
SMILESCCCCOc1ccc(C2(c3ccccc3)C=Cc3c(ccc4ccc5c(c34)C=CC(c3ccccc3)(c3ccc(OCCCC)cc3OC)O5)O2)c(OC)c1
InChIInChI=1S/C50H48O6/c1-5-7-31-53-38-21-23-42(46(33-38)51-3)49(36-15-11-9-12-16-36)29-27-40-44(55-49)25-19-35-20-26-45-41(48(35)40)28-30-50(56-45,37-17-13-10-14-18-37)43-24-22-39(34-47(43)52-4)54-32-8-6-2/h9-30,33-34H,5-8,31-32H2,1-4H3
InChIKeyDCLIKYQLZZVOPK-UHFFFAOYSA-N
XLogP11.91
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.93
LogP ≤ 511.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 178181950
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CID 18916131
(3S)-3-(3,4-dimethoxyphenyl)-3-phenylbenzo[f]chromene
CID 102063385
4-(8-methoxy-3-phenylbenzo[f]chromen-3-yl)-N,N-dimethylaniline
CID 23363453
8-methoxy-3-phenyl-3-(4-phenylphenyl)benzo[f]chromene
CID 15331134
8-methoxy-3-naphthalen-2-yl-3-phenylbenzo[f]chromene
CID 139692008
3-(2-fluorophenyl)-3-(4-methoxyphenyl)benzo[f]chromene
CID 3104875
8-methoxy-3,3-bis(4-phenylphenyl)benzo[f]chromene
CID 15333406
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
7-methoxy-3,3-diphenylbenzo[f]chromene
CID 18954870
7'-methoxy-3'-methyl-2'-phenylspiro[benzo[f]chromene-3,4'-chromene]
CID 19084318
3-(2-fluorophenyl)-3-(4-methoxyphenyl)-[1]benzofuro[3,2-f]chromene
CID 3124844

Frequently Asked Questions

What is the IUPAC name of 3,10-bis(4-butoxy-2-methoxyphenyl)-3,10-diphenylchromeno[5,6-f]chromene?
The IUPAC name of 3,10-bis(4-butoxy-2-methoxyphenyl)-3,10-diphenylchromeno[5,6-f]chromene (CID 178181948) is 3,10-bis(4-butoxy-2-methoxyphenyl)-3,10-diphenylchromeno[5,6-f]chromene.
What is the SMILES notation for 3,10-bis(4-butoxy-2-methoxyphenyl)-3,10-diphenylchromeno[5,6-f]chromene?
The canonical SMILES for 3,10-bis(4-butoxy-2-methoxyphenyl)-3,10-diphenylchromeno[5,6-f]chromene is CCCCOc1ccc(C2(c3ccccc3)C=Cc3c(ccc4ccc5c(c34)C=CC(c3ccccc3)(c3ccc(OCCCC)cc3OC)O5)O2)c(OC)c1.
What is the InChIKey of 3,10-bis(4-butoxy-2-methoxyphenyl)-3,10-diphenylchromeno[5,6-f]chromene?
The InChIKey is DCLIKYQLZZVOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H48O6/c1-5-7-31-53-38-21-23-42(46(33-38)51-3)49(36-15-11-9-12-16-36)29-27-40-44(55-49)25-19-35-20-26-45-41(48(35)40)28-30-50(56-45,37-17-13-10-14-18-37)43-24-22-39(34-47(43)52-4)54-32-8-6-2/h9-30,33-34H,5-8,31-32H2,1-4H3.
What are the key properties of 3,10-bis(4-butoxy-2-methoxyphenyl)-3,10-diphenylchromeno[5,6-f]chromene?
3,10-bis(4-butoxy-2-methoxyphenyl)-3,10-diphenylchromeno[5,6-f]chromene has a molecular weight of 744.93 g/mol, XLogP of 11.91, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10-bis(4-butoxy-2-methoxyphenyl)-3,10-diphenylchromeno[5,6-f]chromene is sourced from PubChem (CID 178181948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).