2,2-bis(4-methoxyphenyl)-4-phenylbenzo[h]chromene

C33H26O3 — CID 11730383

IUPAC2,2-bis(4-methoxyphenyl)-4-phenylbenzo[h]chromene
SMILESCOc1ccc(C2(c3ccc(OC)cc3)C=C(c3ccccc3)c3ccc4ccccc4c3O2)cc1
InChIInChI=1S/C33H26O3/c1-34-27-17-13-25(14-18-27)33(26-15-19-28(35-2)20-16-26)22-31(23-8-4-3-5-9-23)30-21-12-24-10-6-7-11-29(24)32(30)36-33/h3-22H,1-2H3
InChIKeyYQLICSWWISCJOF-UHFFFAOYSA-N
MW470.57 g/mol
LogP7.62
Rot. Bonds5

About 2,2-bis(4-methoxyphenyl)-4-phenylbenzo[h]chromene

2,2-bis(4-methoxyphenyl)-4-phenylbenzo[h]chromene (PubChem CID 11730383) has the molecular formula C33H26O3 and a molecular weight of 470.57 g/mol. Its IUPAC name is 2,2-bis(4-methoxyphenyl)-4-phenylbenzo[h]chromene.

Molecular Properties

Compound Name2,2-bis(4-methoxyphenyl)-4-phenylbenzo[h]chromene
PubChem CID11730383
Molecular FormulaC33H26O3
Molecular Weight470.57 g/mol
Exact Mass470.19
IUPAC Name2,2-bis(4-methoxyphenyl)-4-phenylbenzo[h]chromene
SMILESCOc1ccc(C2(c3ccc(OC)cc3)C=C(c3ccccc3)c3ccc4ccccc4c3O2)cc1
InChIInChI=1S/C33H26O3/c1-34-27-17-13-25(14-18-27)33(26-15-19-28(35-2)20-16-26)22-31(23-8-4-3-5-9-23)30-21-12-24-10-6-7-11-29(24)32(30)36-33/h3-22H,1-2H3
InChIKeyYQLICSWWISCJOF-UHFFFAOYSA-N
XLogP7.62
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.57
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,4,17,17-tetrakis(4-methoxyphenyl)-3,18-dioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8,10,12,15-heptaene
CID 4316919
1-[4-[6-chloro-4-phenyl-2-(4-pyrrolidin-1-ylphenyl)benzo[h]chromen-2-yl]phenyl]pyrrolidine
CID 164569577
12-methoxy-10,10-bis(4-methoxyphenyl)-21,21-dimethyl-9-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),11,15,17,19-nonaene
CID 138622366
10-(4-methoxyphenyl)-25,25-dimethyl-10-phenyl-9-oxahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8(13),11,15(24),16,18,20,22-undecaene
CID 22717430
2-(4-methoxyphenyl)-2-methylbenzo[h]chromene
CID 15650046
6,6'-dimethoxy-3,3'-diphenyl-1,1'-spirobi[indene]
CID 118319966
3-(2-fluorophenyl)-3-(4-methoxyphenyl)benzo[f]chromene
CID 3104875
5-(4-methoxyphenyl)-18,21,21-trimethyl-5-phenanthren-3-yl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15(20),16,18-nonaene
CID 170015424
21,21-diethyl-5-(4-methoxyphenyl)-5-phenyl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene
CID 169306994
18-methoxy-10,10-bis(4-methoxyphenyl)-21,21-dimethyl-9-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),11,15(20),16,18-nonaene
CID 12994769
(5R)-5-(bromomethyl)-5-(4-methoxyphenyl)-2-phenyl-4H-1,3-oxazole
CID 135035333
2-[21,21-diethyl-5-(4-methoxyphenyl)-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaen-5-yl]-4,6-diphenylpyrimidine
CID 169291009

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-methoxyphenyl)-4-phenylbenzo[h]chromene?
The IUPAC name of 2,2-bis(4-methoxyphenyl)-4-phenylbenzo[h]chromene (CID 11730383) is 2,2-bis(4-methoxyphenyl)-4-phenylbenzo[h]chromene.
What is the SMILES notation for 2,2-bis(4-methoxyphenyl)-4-phenylbenzo[h]chromene?
The canonical SMILES for 2,2-bis(4-methoxyphenyl)-4-phenylbenzo[h]chromene is COc1ccc(C2(c3ccc(OC)cc3)C=C(c3ccccc3)c3ccc4ccccc4c3O2)cc1.
What is the InChIKey of 2,2-bis(4-methoxyphenyl)-4-phenylbenzo[h]chromene?
The InChIKey is YQLICSWWISCJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26O3/c1-34-27-17-13-25(14-18-27)33(26-15-19-28(35-2)20-16-26)22-31(23-8-4-3-5-9-23)30-21-12-24-10-6-7-11-29(24)32(30)36-33/h3-22H,1-2H3.
What are the key properties of 2,2-bis(4-methoxyphenyl)-4-phenylbenzo[h]chromene?
2,2-bis(4-methoxyphenyl)-4-phenylbenzo[h]chromene has a molecular weight of 470.57 g/mol, XLogP of 7.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-methoxyphenyl)-4-phenylbenzo[h]chromene is sourced from PubChem (CID 11730383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).