2,8-ditert-butyl-6,6-dimethylnaphtho[1,2-c]isochromene

C27H32O — CID 59611270

IUPAC2,8-ditert-butyl-6,6-dimethylnaphtho[1,2-c]isochromene
SMILESCC(C)(C)c1ccc2c(c1)C(C)(C)Oc1c-2ccc2cc(C(C)(C)C)ccc12
InChIInChI=1S/C27H32O/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)27(7,8)28-24(20)22/h9-16H,1-8H3
InChIKeyCXRBPCOZIFWPMC-UHFFFAOYSA-N
MW372.55 g/mol
LogP7.73
Rot. Bonds

About 2,8-ditert-butyl-6,6-dimethylnaphtho[1,2-c]isochromene

2,8-ditert-butyl-6,6-dimethylnaphtho[1,2-c]isochromene (PubChem CID 59611270) has the molecular formula C27H32O and a molecular weight of 372.55 g/mol. Its IUPAC name is 2,8-ditert-butyl-6,6-dimethylnaphtho[1,2-c]isochromene.

Molecular Properties

Compound Name2,8-ditert-butyl-6,6-dimethylnaphtho[1,2-c]isochromene
PubChem CID59611270
Molecular FormulaC27H32O
Molecular Weight372.55 g/mol
Exact Mass372.25
IUPAC Name2,8-ditert-butyl-6,6-dimethylnaphtho[1,2-c]isochromene
SMILESCC(C)(C)c1ccc2c(c1)C(C)(C)Oc1c-2ccc2cc(C(C)(C)C)ccc12
InChIInChI=1S/C27H32O/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)27(7,8)28-24(20)22/h9-16H,1-8H3
InChIKeyCXRBPCOZIFWPMC-UHFFFAOYSA-N
XLogP7.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.55
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-amino-6-tert-butylnaphthalen-1-yl)-6-tert-butylnaphthalen-2-amine
CID 118283497
(2,7-ditert-butyl-9-methylfluoren-9-yl)-trimethylsilane
CID 67896056
6,13-ditert-butyl-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaene;2,8-ditert-butyl-6H-naphtho[1,2-c]isochromene
CID 158058262
2,8-diethyl-6,6-difluoronaphtho[1,2-c]isochromene
CID 67992887
(3,7-ditert-butylnaphthalen-1-yl)boronic acid
CID 58068101
4-(2,7-ditert-butyl-9-methylfluoren-9-yl)butan-1-amine
CID 166931195
1,7-ditert-butyl-9,9-dimethylfluorene;1,8-ditert-butyl-9,9-dimethylfluorene;2,6-ditert-butyl-9,9-dimethylfluorene;2,7-ditert-butyl-9,9-dimethylfluorene;3,6-ditert-butyl-9,9-dimethylfluorene;2,5-ditert-butylphenanthrene;2,6-ditert-butylphenanthrene;2,9-ditert-butylphenanthrene;3,9-ditert-butylphenanthrene
CID 159615865
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
2,7-ditert-butyl-9-(2,7-ditert-butylphenanthren-9-yl)phenanthrene
CID 123877985
2,6-ditert-butylanthracene
CID 15740416
2-tert-butyl-8-ethyl-5,5-difluoronaphtho[1,2-c]chromene
CID 67522625
2,7-ditert-butyl-4-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluorene
CID 58986909

Frequently Asked Questions

What is the IUPAC name of 2,8-ditert-butyl-6,6-dimethylnaphtho[1,2-c]isochromene?
The IUPAC name of 2,8-ditert-butyl-6,6-dimethylnaphtho[1,2-c]isochromene (CID 59611270) is 2,8-ditert-butyl-6,6-dimethylnaphtho[1,2-c]isochromene.
What is the SMILES notation for 2,8-ditert-butyl-6,6-dimethylnaphtho[1,2-c]isochromene?
The canonical SMILES for 2,8-ditert-butyl-6,6-dimethylnaphtho[1,2-c]isochromene is CC(C)(C)c1ccc2c(c1)C(C)(C)Oc1c-2ccc2cc(C(C)(C)C)ccc12.
What is the InChIKey of 2,8-ditert-butyl-6,6-dimethylnaphtho[1,2-c]isochromene?
The InChIKey is CXRBPCOZIFWPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32O/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)27(7,8)28-24(20)22/h9-16H,1-8H3.
What are the key properties of 2,8-ditert-butyl-6,6-dimethylnaphtho[1,2-c]isochromene?
2,8-ditert-butyl-6,6-dimethylnaphtho[1,2-c]isochromene has a molecular weight of 372.55 g/mol, XLogP of 7.73, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-ditert-butyl-6,6-dimethylnaphtho[1,2-c]isochromene is sourced from PubChem (CID 59611270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).