2,6-ditert-butyl-4-[(7S)-6-phenyl-7H-benzo[c]xanthen-7-yl]phenol

C37H36O2 — CID 139095552

IUPAC2,6-ditert-butyl-4-[(7S)-6-phenyl-7H-benzo[c]xanthen-7-yl]phenol
SMILESCC(C)(C)c1cc([C@H]2c3ccccc3Oc3c2c(-c2ccccc2)cc2ccccc32)cc(C(C)(C)C)c1O
InChIInChI=1S/C37H36O2/c1-36(2,3)29-21-25(22-30(34(29)38)37(4,5)6)32-27-18-12-13-19-31(27)39-35-26-17-11-10-16-24(26)20-28(33(32)35)23-14-8-7-9-15-23/h7-22,32,38H,1-6H3/t32-/m0/s1
InChIKeyWAGYQPWKPDVMMR-YTTGMZPUSA-N
MW512.69 g/mol
LogP10.09
Rot. Bonds2

About 2,6-ditert-butyl-4-[(7S)-6-phenyl-7H-benzo[c]xanthen-7-yl]phenol

2,6-ditert-butyl-4-[(7S)-6-phenyl-7H-benzo[c]xanthen-7-yl]phenol (PubChem CID 139095552) has the molecular formula C37H36O2 and a molecular weight of 512.69 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-[(7S)-6-phenyl-7H-benzo[c]xanthen-7-yl]phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-[(7S)-6-phenyl-7H-benzo[c]xanthen-7-yl]phenol
PubChem CID139095552
Molecular FormulaC37H36O2
Molecular Weight512.69 g/mol
Exact Mass512.27
IUPAC Name2,6-ditert-butyl-4-[(7S)-6-phenyl-7H-benzo[c]xanthen-7-yl]phenol
SMILESCC(C)(C)c1cc([C@H]2c3ccccc3Oc3c2c(-c2ccccc2)cc2ccccc32)cc(C(C)(C)C)c1O
InChIInChI=1S/C37H36O2/c1-36(2,3)29-21-25(22-30(34(29)38)37(4,5)6)32-27-18-12-13-19-31(27)39-35-26-17-11-10-16-24(26)20-28(33(32)35)23-14-8-7-9-15-23/h7-22,32,38H,1-6H3/t32-/m0/s1
InChIKeyWAGYQPWKPDVMMR-YTTGMZPUSA-N
XLogP10.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.69
LogP ≤ 510.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-ditert-butyl-4-(9H-xanthen-9-yl)phenol
CID 139095938
methyl 4-(3,5-ditert-butyl-4-hydroxyphenyl)-2-methyl-4H-chromene-3-carboxylate
CID 177440750
benzene;2,6-ditert-butyl-4-phenylphenol
CID 175516792
1-bromo-3-tert-butylnaphthalen-2-ol
CID 164578016
2-tert-butyl-4-methyl-6-phenylphenol
CID 14315744
2,4-ditert-butyl-6-phenylphenol;titanium
CID 175919247
4-tert-butyl-N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine
CID 176757426
4-tert-butyl-9H-xanthen-9-ol
CID 102278756
3-(3,5-ditert-butyl-4-hydroxyphenyl)naphthalene-1,2,4-trione
CID 91563497
[(2S,3S)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]-naphthalen-2-ylmethanone
CID 164679515
2-tert-butyl-1,4-diphenylnaphthalene
CID 10759331
ethane;3-phenyl-3H-1-benzofuran-2-one
CID 91570069

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-[(7S)-6-phenyl-7H-benzo[c]xanthen-7-yl]phenol?
The IUPAC name of 2,6-ditert-butyl-4-[(7S)-6-phenyl-7H-benzo[c]xanthen-7-yl]phenol (CID 139095552) is 2,6-ditert-butyl-4-[(7S)-6-phenyl-7H-benzo[c]xanthen-7-yl]phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-[(7S)-6-phenyl-7H-benzo[c]xanthen-7-yl]phenol?
The canonical SMILES for 2,6-ditert-butyl-4-[(7S)-6-phenyl-7H-benzo[c]xanthen-7-yl]phenol is CC(C)(C)c1cc([C@H]2c3ccccc3Oc3c2c(-c2ccccc2)cc2ccccc32)cc(C(C)(C)C)c1O.
What is the InChIKey of 2,6-ditert-butyl-4-[(7S)-6-phenyl-7H-benzo[c]xanthen-7-yl]phenol?
The InChIKey is WAGYQPWKPDVMMR-YTTGMZPUSA-N. The full InChI is InChI=1S/C37H36O2/c1-36(2,3)29-21-25(22-30(34(29)38)37(4,5)6)32-27-18-12-13-19-31(27)39-35-26-17-11-10-16-24(26)20-28(33(32)35)23-14-8-7-9-15-23/h7-22,32,38H,1-6H3/t32-/m0/s1.
What are the key properties of 2,6-ditert-butyl-4-[(7S)-6-phenyl-7H-benzo[c]xanthen-7-yl]phenol?
2,6-ditert-butyl-4-[(7S)-6-phenyl-7H-benzo[c]xanthen-7-yl]phenol has a molecular weight of 512.69 g/mol, XLogP of 10.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-[(7S)-6-phenyl-7H-benzo[c]xanthen-7-yl]phenol is sourced from PubChem (CID 139095552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).