2,8-ditert-butyl-5,5-difluoronaphtho[1,2-c]chromene;2,8-ditert-butyl-6,6-difluoronaphtho[1,2-c]isochromene;2,8-ditert-butyl-5,5-dimethylnaphtho[1,2-c]chromene;2,8-ditert-butyl-6,6-dimethylnaphtho[1,2-c]isochromene;3,8-ditert-butylnaphtho[2,3-b][1]benzofuran;2,8-ditert-butyl-5H-naphtho[1,2-c]chromene;3,9-ditert-butyl-6H-naphtho[2,3-c]chromene;2,8-ditert-butylnaphtho[1,2-c]chromen-5-one;2,8-ditert-butyl-6H-naphtho[1,2-c]isochromene

C228H252F4O10 — CID 161104584

IUPAC2,8-ditert-butyl-5,5-difluoronaphtho[1,2-c]chromene;2,8-ditert-butyl-6,6-difluoronaphtho[1,2-c]isochromene;2,8-ditert-butyl-5,5-dimethylnaphtho[1,2-c]chromene;2,8-ditert-butyl-6,6-dimethylnaphtho[1,2-c]isochromene;3,8-ditert-butylnaphtho[2,3-b][1]benzofuran;2,8-ditert-butyl-5H-naphtho[1,2-c]chromene;3,9-ditert-butyl-6H-naphtho[2,3-c]chromene;2,8-ditert-butylnaphtho[1,2-c]chromen-5-one;2,8-ditert-butyl-6H-naphtho[1,2-c]isochromene
SMILESCC(C)(C)c1ccc2c(c1)C(C)(C)Oc1c-2ccc2cc(C(C)(C)C)ccc12.CC(C)(C)c1ccc2c(c1)C(F)(F)Oc1c-2ccc2cc(C(C)(C)C)ccc12.CC(C)(C)c1ccc2c(c1)COc1c-2ccc2cc(C(C)(C)C)ccc12.CC(C)(C)c1ccc2c(c1)OC(C)(C)c1c-2ccc2cc(C(C)(C)C)ccc12.CC(C)(C)c1ccc2c(c1)OC(F)(F)c1c-2ccc2cc(C(C)(C)C)ccc12.CC(C)(C)c1ccc2c(c1)OCc1c-2ccc2cc(C(C)(C)C)ccc12.CC(C)(C)c1ccc2c(c1)OCc1cc3cc(C(C)(C)C)ccc3cc1-2.CC(C)(C)c1ccc2c(ccc3c4ccc(C(C)(C)C)cc4oc(=O)c23)c1.CC(C)(C)c1ccc2cc3c(cc2c1)oc1cc(C(C)(C)C)ccc13
InChIInChI=1S/2C27H32O.2C25H26F2O.C25H26O2.3C25H28O.C24H26O/c1-25(2,3)18-10-13-20-17(15-18)9-12-22-21-14-11-19(26(4,5)6)16-23(21)28-27(7,8)24(20)22;1-25(2,3)18-10-13-20-17(15-18)9-12-22-21-14-11-19(26(4,5)6)16-23(21)27(7,8)28-24(20)22;1-23(2,3)16-8-11-18-15(13-16)7-10-20-19-12-9-17(24(4,5)6)14-21(19)28-25(26,27)22(18)20;1-23(2,3)16-8-11-18-15(13-16)7-10-20-19-12-9-17(24(4,5)6)14-21(19)25(26,27)28-22(18)20;1-24(2,3)16-8-11-18-15(13-16)7-10-20-19-12-9-17(25(4,5)6)14-21(19)27-23(26)22(18)20;1-24(2,3)18-9-12-21-16(13-18)7-10-22-20-11-8-19(25(4,5)6)14-17(20)15-26-23(21)22;1-24(2,3)17-8-11-19-16(13-17)7-10-20-21-12-9-18(25(4,5)6)14-23(21)26-15-22(19)20;1-24(2,3)19-8-7-16-13-22-18(11-17(16)12-19)15-26-23-14-20(25(4,5)6)9-10-21(22)23;1-23(2,3)17-8-7-15-12-20-19-10-9-18(24(4,5)6)14-22(19)25-21(20)13-16(15)11-17/h2*9-16H,1-8H3;2*7-14H,1-6H3;7-14H,1-6H3;3*7-14H,15H2,1-6H3;7-14H,1-6H3
InChIKeyUIWMFGKMTNVDIN-UHFFFAOYSA-N
MW3228.51 g/mol
LogP65.56
Rot. Bonds

About 2,8-ditert-butyl-5,5-difluoronaphtho[1,2-c]chromene;2,8-ditert-butyl-6,6-difluoronaphtho[1,2-c]isochromene;2,8-ditert-butyl-5,5-dimethylnaphtho[1,2-c]chromene;2,8-ditert-butyl-6,6-dimethylnaphtho[1,2-c]isochromene;3,8-ditert-butylnaphtho[2,3-b][1]benzofuran;2,8-ditert-butyl-5H-naphtho[1,2-c]chromene;3,9-ditert-butyl-6H-naphtho[2,3-c]chromene;2,8-ditert-butylnaphtho[1,2-c]chromen-5-one;2,8-ditert-butyl-6H-naphtho[1,2-c]isochromene

2,8-ditert-butyl-5,5-difluoronaphtho[1,2-c]chromene;2,8-ditert-butyl-6,6-difluoronaphtho[1,2-c]isochromene;2,8-ditert-butyl-5,5-dimethylnaphtho[1,2-c]chromene;2,8-ditert-butyl-6,6-dimethylnaphtho[1,2-c]isochromene;3,8-ditert-butylnaphtho[2,3-b][1]benzofuran;2,8-ditert-butyl-5H-naphtho[1,2-c]chromene;3,9-ditert-butyl-6H-naphtho[2,3-c]chromene;2,8-ditert-butylnaphtho[1,2-c]chromen-5-one;2,8-ditert-butyl-6H-naphtho[1,2-c]isochromene (PubChem CID 161104584) has the molecular formula C228H252F4O10 and a molecular weight of 3228.51 g/mol. Its IUPAC name is 2,8-ditert-butyl-5,5-difluoronaphtho[1,2-c]chromene;2,8-ditert-butyl-6,6-difluoronaphtho[1,2-c]isochromene;2,8-ditert-butyl-5,5-dimethylnaphtho[1,2-c]chromene;2,8-ditert-butyl-6,6-dimethylnaphtho[1,2-c]isochromene;3,8-ditert-butylnaphtho[2,3-b][1]benzofuran;2,8-ditert-butyl-5H-naphtho[1,2-c]chromene;3,9-ditert-butyl-6H-naphtho[2,3-c]chromene;2,8-ditert-butylnaphtho[1,2-c]chromen-5-one;2,8-ditert-butyl-6H-naphtho[1,2-c]isochromene.

Molecular Properties

Compound Name2,8-ditert-butyl-5,5-difluoronaphtho[1,2-c]chromene;2,8-ditert-butyl-6,6-difluoronaphtho[1,2-c]isochromene;2,8-ditert-butyl-5,5-dimethylnaphtho[1,2-c]chromene;2,8-ditert-butyl-6,6-dimethylnaphtho[1,2-c]isochromene;3,8-ditert-butylnaphtho[2,3-b][1]benzofuran;2,8-ditert-butyl-5H-naphtho[1,2-c]chromene;3,9-ditert-butyl-6H-naphtho[2,3-c]chromene;2,8-ditert-butylnaphtho[1,2-c]chromen-5-one;2,8-ditert-butyl-6H-naphtho[1,2-c]isochromene
PubChem CID161104584
Molecular FormulaC228H252F4O10
Molecular Weight3228.51 g/mol
Exact Mass3225.91
IUPAC Name2,8-ditert-butyl-5,5-difluoronaphtho[1,2-c]chromene;2,8-ditert-butyl-6,6-difluoronaphtho[1,2-c]isochromene;2,8-ditert-butyl-5,5-dimethylnaphtho[1,2-c]chromene;2,8-ditert-butyl-6,6-dimethylnaphtho[1,2-c]isochromene;3,8-ditert-butylnaphtho[2,3-b][1]benzofuran;2,8-ditert-butyl-5H-naphtho[1,2-c]chromene;3,9-ditert-butyl-6H-naphtho[2,3-c]chromene;2,8-ditert-butylnaphtho[1,2-c]chromen-5-one;2,8-ditert-butyl-6H-naphtho[1,2-c]isochromene
SMILESCC(C)(C)c1ccc2c(c1)C(C)(C)Oc1c-2ccc2cc(C(C)(C)C)ccc12.CC(C)(C)c1ccc2c(c1)C(F)(F)Oc1c-2ccc2cc(C(C)(C)C)ccc12.CC(C)(C)c1ccc2c(c1)COc1c-2ccc2cc(C(C)(C)C)ccc12.CC(C)(C)c1ccc2c(c1)OC(C)(C)c1c-2ccc2cc(C(C)(C)C)ccc12.CC(C)(C)c1ccc2c(c1)OC(F)(F)c1c-2ccc2cc(C(C)(C)C)ccc12.CC(C)(C)c1ccc2c(c1)OCc1c-2ccc2cc(C(C)(C)C)ccc12.CC(C)(C)c1ccc2c(c1)OCc1cc3cc(C(C)(C)C)ccc3cc1-2.CC(C)(C)c1ccc2c(ccc3c4ccc(C(C)(C)C)cc4oc(=O)c23)c1.CC(C)(C)c1ccc2cc3c(cc2c1)oc1cc(C(C)(C)C)ccc13
InChIInChI=1S/2C27H32O.2C25H26F2O.C25H26O2.3C25H28O.C24H26O/c1-25(2,3)18-10-13-20-17(15-18)9-12-22-21-14-11-19(26(4,5)6)16-23(21)28-27(7,8)24(20)22;1-25(2,3)18-10-13-20-17(15-18)9-12-22-21-14-11-19(26(4,5)6)16-23(21)27(7,8)28-24(20)22;1-23(2,3)16-8-11-18-15(13-16)7-10-20-19-12-9-17(24(4,5)6)14-21(19)28-25(26,27)22(18)20;1-23(2,3)16-8-11-18-15(13-16)7-10-20-19-12-9-17(24(4,5)6)14-21(19)25(26,27)28-22(18)20;1-24(2,3)16-8-11-18-15(13-16)7-10-20-19-12-9-17(25(4,5)6)14-21(19)27-23(26)22(18)20;1-24(2,3)18-9-12-21-16(13-18)7-10-22-20-11-8-19(25(4,5)6)14-17(20)15-26-23(21)22;1-24(2,3)17-8-11-19-16(13-17)7-10-20-21-12-9-18(25(4,5)6)14-23(21)26-15-22(19)20;1-24(2,3)19-8-7-16-13-22-18(11-17(16)12-19)15-26-23-14-20(25(4,5)6)9-10-21(22)23;1-23(2,3)17-8-7-15-12-20-19-10-9-18(24(4,5)6)14-22(19)25-21(20)13-16(15)11-17/h2*9-16H,1-8H3;2*7-14H,1-6H3;7-14H,1-6H3;3*7-14H,15H2,1-6H3;7-14H,1-6H3
InChIKeyUIWMFGKMTNVDIN-UHFFFAOYSA-N
XLogP65.56
TPSA107.96 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms242
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003228.51
LogP ≤ 565.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2,8-ditert-butyl-5,5-difluoronaphtho[1,2-c]chromene;2,8-ditert-butyl-6,6-difluoronaphtho[1,2-c]isochromene;2,8-ditert-butyl-5,5-dimethylnaphtho[1,2-c]chromene;2,8-ditert-butyl-6,6-dimethylnaphtho[1,2-c]isochromene;3,8-ditert-butylnaphtho[2,3-b][1]benzofuran;2,8-ditert-butyl-5H-naphtho[1,2-c]chromene;3,9-ditert-butyl-6H-naphtho[2,3-c]chromene;2,8-ditert-butylnaphtho[1,2-c]chromen-5-one;2,8-ditert-butyl-6H-naphtho[1,2-c]isochromene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,8-ditert-butyl-5,5-difluoronaphtho[1,2-c]chromene;2,8-ditert-butyl-6,6-difluoronaphtho[1,2-c]isochromene;2,8-ditert-butyl-5,5-dimethylnaphtho[1,2-c]chromene;2,8-ditert-butyl-6,6-dimethylnaphtho[1,2-c]isochromene;3,8-ditert-butylnaphtho[2,3-b][1]benzofuran;2,8-ditert-butyl-5H-naphtho[1,2-c]chromene;3,9-ditert-butyl-6H-naphtho[2,3-c]chromene;2,8-ditert-butylnaphtho[1,2-c]chromen-5-one;2,8-ditert-butyl-6H-naphtho[1,2-c]isochromene?
The IUPAC name of 2,8-ditert-butyl-5,5-difluoronaphtho[1,2-c]chromene;2,8-ditert-butyl-6,6-difluoronaphtho[1,2-c]isochromene;2,8-ditert-butyl-5,5-dimethylnaphtho[1,2-c]chromene;2,8-ditert-butyl-6,6-dimethylnaphtho[1,2-c]isochromene;3,8-ditert-butylnaphtho[2,3-b][1]benzofuran;2,8-ditert-butyl-5H-naphtho[1,2-c]chromene;3,9-ditert-butyl-6H-naphtho[2,3-c]chromene;2,8-ditert-butylnaphtho[1,2-c]chromen-5-one;2,8-ditert-butyl-6H-naphtho[1,2-c]isochromene (CID 161104584) is 2,8-ditert-butyl-5,5-difluoronaphtho[1,2-c]chromene;2,8-ditert-butyl-6,6-difluoronaphtho[1,2-c]isochromene;2,8-ditert-butyl-5,5-dimethylnaphtho[1,2-c]chromene;2,8-ditert-butyl-6,6-dimethylnaphtho[1,2-c]isochromene;3,8-ditert-butylnaphtho[2,3-b][1]benzofuran;2,8-ditert-butyl-5H-naphtho[1,2-c]chromene;3,9-ditert-butyl-6H-naphtho[2,3-c]chromene;2,8-ditert-butylnaphtho[1,2-c]chromen-5-one;2,8-ditert-butyl-6H-naphtho[1,2-c]isochromene.
What is the SMILES notation for 2,8-ditert-butyl-5,5-difluoronaphtho[1,2-c]chromene;2,8-ditert-butyl-6,6-difluoronaphtho[1,2-c]isochromene;2,8-ditert-butyl-5,5-dimethylnaphtho[1,2-c]chromene;2,8-ditert-butyl-6,6-dimethylnaphtho[1,2-c]isochromene;3,8-ditert-butylnaphtho[2,3-b][1]benzofuran;2,8-ditert-butyl-5H-naphtho[1,2-c]chromene;3,9-ditert-butyl-6H-naphtho[2,3-c]chromene;2,8-ditert-butylnaphtho[1,2-c]chromen-5-one;2,8-ditert-butyl-6H-naphtho[1,2-c]isochromene?
The canonical SMILES for 2,8-ditert-butyl-5,5-difluoronaphtho[1,2-c]chromene;2,8-ditert-butyl-6,6-difluoronaphtho[1,2-c]isochromene;2,8-ditert-butyl-5,5-dimethylnaphtho[1,2-c]chromene;2,8-ditert-butyl-6,6-dimethylnaphtho[1,2-c]isochromene;3,8-ditert-butylnaphtho[2,3-b][1]benzofuran;2,8-ditert-butyl-5H-naphtho[1,2-c]chromene;3,9-ditert-butyl-6H-naphtho[2,3-c]chromene;2,8-ditert-butylnaphtho[1,2-c]chromen-5-one;2,8-ditert-butyl-6H-naphtho[1,2-c]isochromene is CC(C)(C)c1ccc2c(c1)C(C)(C)Oc1c-2ccc2cc(C(C)(C)C)ccc12.CC(C)(C)c1ccc2c(c1)C(F)(F)Oc1c-2ccc2cc(C(C)(C)C)ccc12.CC(C)(C)c1ccc2c(c1)COc1c-2ccc2cc(C(C)(C)C)ccc12.CC(C)(C)c1ccc2c(c1)OC(C)(C)c1c-2ccc2cc(C(C)(C)C)ccc12.CC(C)(C)c1ccc2c(c1)OC(F)(F)c1c-2ccc2cc(C(C)(C)C)ccc12.CC(C)(C)c1ccc2c(c1)OCc1c-2ccc2cc(C(C)(C)C)ccc12.CC(C)(C)c1ccc2c(c1)OCc1cc3cc(C(C)(C)C)ccc3cc1-2.CC(C)(C)c1ccc2c(ccc3c4ccc(C(C)(C)C)cc4oc(=O)c23)c1.CC(C)(C)c1ccc2cc3c(cc2c1)oc1cc(C(C)(C)C)ccc13.
What is the InChIKey of 2,8-ditert-butyl-5,5-difluoronaphtho[1,2-c]chromene;2,8-ditert-butyl-6,6-difluoronaphtho[1,2-c]isochromene;2,8-ditert-butyl-5,5-dimethylnaphtho[1,2-c]chromene;2,8-ditert-butyl-6,6-dimethylnaphtho[1,2-c]isochromene;3,8-ditert-butylnaphtho[2,3-b][1]benzofuran;2,8-ditert-butyl-5H-naphtho[1,2-c]chromene;3,9-ditert-butyl-6H-naphtho[2,3-c]chromene;2,8-ditert-butylnaphtho[1,2-c]chromen-5-one;2,8-ditert-butyl-6H-naphtho[1,2-c]isochromene?
The InChIKey is UIWMFGKMTNVDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H32O.2C25H26F2O.C25H26O2.3C25H28O.C24H26O/c1-25(2,3)18-10-13-20-17(15-18)9-12-22-21-14-11-19(26(4,5)6)16-23(21)28-27(7,8)24(20)22;1-25(2,3)18-10-13-20-17(15-18)9-12-22-21-14-11-19(26(4,5)6)16-23(21)27(7,8)28-24(20)22;1-23(2,3)16-8-11-18-15(13-16)7-10-20-19-12-9-17(24(4,5)6)14-21(19)28-25(26,27)22(18)20;1-23(2,3)16-8-11-18-15(13-16)7-10-20-19-12-9-17(24(4,5)6)14-21(19)25(26,27)28-22(18)20;1-24(2,3)16-8-11-18-15(13-16)7-10-20-19-12-9-17(25(4,5)6)14-21(19)27-23(26)22(18)20;1-24(2,3)18-9-12-21-16(13-18)7-10-22-20-11-8-19(25(4,5)6)14-17(20)15-26-23(21)22;1-24(2,3)17-8-11-19-16(13-17)7-10-20-21-12-9-18(25(4,5)6)14-23(21)26-15-22(19)20;1-24(2,3)19-8-7-16-13-22-18(11-17(16)12-19)15-26-23-14-20(25(4,5)6)9-10-21(22)23;1-23(2,3)17-8-7-15-12-20-19-10-9-18(24(4,5)6)14-22(19)25-21(20)13-16(15)11-17/h2*9-16H,1-8H3;2*7-14H,1-6H3;7-14H,1-6H3;3*7-14H,15H2,1-6H3;7-14H,1-6H3.
What are the key properties of 2,8-ditert-butyl-5,5-difluoronaphtho[1,2-c]chromene;2,8-ditert-butyl-6,6-difluoronaphtho[1,2-c]isochromene;2,8-ditert-butyl-5,5-dimethylnaphtho[1,2-c]chromene;2,8-ditert-butyl-6,6-dimethylnaphtho[1,2-c]isochromene;3,8-ditert-butylnaphtho[2,3-b][1]benzofuran;2,8-ditert-butyl-5H-naphtho[1,2-c]chromene;3,9-ditert-butyl-6H-naphtho[2,3-c]chromene;2,8-ditert-butylnaphtho[1,2-c]chromen-5-one;2,8-ditert-butyl-6H-naphtho[1,2-c]isochromene?
2,8-ditert-butyl-5,5-difluoronaphtho[1,2-c]chromene;2,8-ditert-butyl-6,6-difluoronaphtho[1,2-c]isochromene;2,8-ditert-butyl-5,5-dimethylnaphtho[1,2-c]chromene;2,8-ditert-butyl-6,6-dimethylnaphtho[1,2-c]isochromene;3,8-ditert-butylnaphtho[2,3-b][1]benzofuran;2,8-ditert-butyl-5H-naphtho[1,2-c]chromene;3,9-ditert-butyl-6H-naphtho[2,3-c]chromene;2,8-ditert-butylnaphtho[1,2-c]chromen-5-one;2,8-ditert-butyl-6H-naphtho[1,2-c]isochromene has a molecular weight of 3228.51 g/mol, XLogP of 65.56, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-ditert-butyl-5,5-difluoronaphtho[1,2-c]chromene;2,8-ditert-butyl-6,6-difluoronaphtho[1,2-c]isochromene;2,8-ditert-butyl-5,5-dimethylnaphtho[1,2-c]chromene;2,8-ditert-butyl-6,6-dimethylnaphtho[1,2-c]isochromene;3,8-ditert-butylnaphtho[2,3-b][1]benzofuran;2,8-ditert-butyl-5H-naphtho[1,2-c]chromene;3,9-ditert-butyl-6H-naphtho[2,3-c]chromene;2,8-ditert-butylnaphtho[1,2-c]chromen-5-one;2,8-ditert-butyl-6H-naphtho[1,2-c]isochromene is sourced from PubChem (CID 161104584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).